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JNJ-632 10mg

CAT: 0628-A20182-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20182-10Size:10 mg
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CAS Number
1572510-42-9

Chemical Information

(S)-N-(4-fluoro-3-methylphenyl)-3-(N-(tetrahydrofuran-3-yl)sulfamoyl)benzamide
CAS Number1572510-42-9
PubChem CID73389570
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
Molecular FormulaC18H19FN2O4S
Molecular Weight378.4
XLogP2.2
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity594
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N[C@H]3CCOC3)F
InChI
InChI=1S/C18H19FN2O4S/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)26(23,24)21-15-7-8-25-11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKey
JIZGLOVJKCSHTH-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(4-fluoro-3-methylphenyl)-3-(N-(tetrahydrofuran-3-yl)sulfamoyl)benzamide
CAS: 1572510-42-9
CID: 73389570
Formula: C18H19FN2O4S
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass378.10495643
Monoisotopic Mass378.10495643
Topological Polar Surface Area92.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA1829-5JNJ-632
A8226-STAK-632
466789-01TAK 632

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