N-benzhydryl-2-bromobenzenesulfonamide

C19H16BrNO2S — CID 7938199

IUPACN-benzhydryl-2-bromobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H16BrNO2S/c20-17-13-7-8-14-18(17)24(22,23)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,21H
InChIKeyQSQWRPNEGCXMDM-UHFFFAOYSA-N
MW402.31 g/mol
LogP4.52
Rot. Bonds5

About N-benzhydryl-2-bromobenzenesulfonamide

N-benzhydryl-2-bromobenzenesulfonamide (PubChem CID 7938199) has the molecular formula C19H16BrNO2S and a molecular weight of 402.31 g/mol. Its IUPAC name is N-benzhydryl-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-2-bromobenzenesulfonamide
PubChem CID7938199
Molecular FormulaC19H16BrNO2S
Molecular Weight402.31 g/mol
Exact Mass401.01
IUPAC NameN-benzhydryl-2-bromobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H16BrNO2S/c20-17-13-7-8-14-18(17)24(22,23)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,21H
InChIKeyQSQWRPNEGCXMDM-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
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CID 42913006
2-bromo-N-methylbenzenesulfonamide
CID 850141
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-bromobenzenesulfonamide?
The IUPAC name of N-benzhydryl-2-bromobenzenesulfonamide (CID 7938199) is N-benzhydryl-2-bromobenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-2-bromobenzenesulfonamide?
The canonical SMILES for N-benzhydryl-2-bromobenzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1Br.
What is the InChIKey of N-benzhydryl-2-bromobenzenesulfonamide?
The InChIKey is QSQWRPNEGCXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2S/c20-17-13-7-8-14-18(17)24(22,23)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,21H.
What are the key properties of N-benzhydryl-2-bromobenzenesulfonamide?
N-benzhydryl-2-bromobenzenesulfonamide has a molecular weight of 402.31 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-bromobenzenesulfonamide is sourced from PubChem (CID 7938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).