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Nodinitib-1 10mM * 1mL in DMSO

CAT: 0628-A16619-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A16619-10mM-DSize:10 mM x 1mL in DMSO
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CAS Number
799264-47-4

Chemical Information

1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine

1-(4-methylphenyl)sulfonyl-2-benzimidazolamine is a sulfonamide.

CAS Number799264-47-4
PubChem CID1088438
IUPAC Name1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
Molecular FormulaC14H13N3O2S
Molecular Weight287.34
XLogP3.2
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity440
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKey
SRFABRWQVPCPRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CAS: 799264-47-4
CID: 1088438
Formula: C14H13N3O2S
MW: 287.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight287.34
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass287.07284784
Monoisotopic Mass287.07284784
Topological Polar Surface Area86.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity440
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