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CAT: 0926-BGA88281-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-BGA88281-02Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
151882-81-4
Smiles
CC1=CC=C (C=C1) S (=O) (=O) NC (=O) NC2=CC=C (C=C2) CC3=CC=C (C=C3) NC (=O) NS (=O) (=O) C4=CC=C (C=C4) C
Molecular Formula
C29H28N4O6S2
Molecular Weight
592.7 g/mol
Controlled
No

Chemical Information

4,4'-bis(N-carbamoyl-4-methylbenzensulfonamide)diphenylmethane

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CAS Number151882-81-4
PubChem CID3596056
IUPAC Name1-(4-methylphenyl)sulfonyl-3-[4-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
Molecular FormulaC29H28N4O6S2
Molecular Weight592.7
XLogP6.1
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity985
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C29H28N4O6S2/c1-20-3-15-26(16-4-20)40(36,37)32-28(34)30-24-11-7-22(8-12-24)19-23-9-13-25(14-10-23)31-29(35)33-41(38,39)27-17-5-21(2)6-18-27/h3-18H,19H2,1-2H3,(H2,30,32,34)(H2,31,33,35)
InChIKey
XVSRGZPKJKLORS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-bis(N-carbamoyl-4-methylbenzensulfonamide)diphenylmethane
CAS: 151882-81-4
CID: 3596056
Formula: C29H28N4O6S2
MW: 592.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight592.7
XLogP36.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass592.14502697
Monoisotopic Mass592.14502697
Topological Polar Surface Area167 Ų
Heavy Atom Count41
Formal Charge0
Complexity985
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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