N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide

C20H18ClNO2S — CID 3814235

IUPACN-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2S/c1-15(16-7-11-19(21)12-8-16)22-25(23,24)20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-15,22H,1H3
InChIKeyFOYXXGBRPKOKHL-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide

N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide (PubChem CID 3814235) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
PubChem CID3814235
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2S/c1-15(16-7-11-19(21)12-8-16)22-25(23,24)20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-15,22H,1H3
InChIKeyFOYXXGBRPKOKHL-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957
4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 107858568
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 66978868
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide (CID 3814235) is N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide is CC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is FOYXXGBRPKOKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-15(16-7-11-19(21)12-8-16)22-25(23,24)20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-15,22H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide?
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 371.89 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3814235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).