N-benzhydryl-2,6-dichlorobenzenesulfonamide

C19H15Cl2NO2S — CID 3332711

IUPACN-benzhydryl-2,6-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO2S/c20-16-12-7-13-17(21)19(16)25(23,24)22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22H
InChIKeyVSDWUIKFEXRFPS-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.06
Rot. Bonds5

About N-benzhydryl-2,6-dichlorobenzenesulfonamide

N-benzhydryl-2,6-dichlorobenzenesulfonamide (PubChem CID 3332711) has the molecular formula C19H15Cl2NO2S and a molecular weight of 392.31 g/mol. Its IUPAC name is N-benzhydryl-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-2,6-dichlorobenzenesulfonamide
PubChem CID3332711
Molecular FormulaC19H15Cl2NO2S
Molecular Weight392.31 g/mol
Exact Mass391.02
IUPAC NameN-benzhydryl-2,6-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO2S/c20-16-12-7-13-17(21)19(16)25(23,24)22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22H
InChIKeyVSDWUIKFEXRFPS-UHFFFAOYSA-N
XLogP5.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
CID 24678420
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927101
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771130
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-benzhydryl-2,6-dichlorobenzenesulfonamide (CID 3332711) is N-benzhydryl-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-benzhydryl-2,6-dichlorobenzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-benzhydryl-2,6-dichlorobenzenesulfonamide?
The InChIKey is VSDWUIKFEXRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S/c20-16-12-7-13-17(21)19(16)25(23,24)22-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22H.
What are the key properties of N-benzhydryl-2,6-dichlorobenzenesulfonamide?
N-benzhydryl-2,6-dichlorobenzenesulfonamide has a molecular weight of 392.31 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 3332711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).