4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide

C16H18ClNO3S — CID 40753625

IUPAC4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C16H18ClNO3S/c1-3-16(12-4-8-14(21-2)9-5-12)18-22(19,20)15-10-6-13(17)7-11-15/h4-11,16,18H,3H2,1-2H3/t16-/m0/s1
InChIKeyXJSOKBQMCSQACY-INIZCTEOSA-N
MW339.84 g/mol
LogP3.78
Rot. Bonds6

About 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide

4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide (PubChem CID 40753625) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
PubChem CID40753625
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C16H18ClNO3S/c1-3-16(12-4-8-14(21-2)9-5-12)18-22(19,20)15-10-6-13(17)7-11-15/h4-11,16,18H,3H2,1-2H3/t16-/m0/s1
InChIKeyXJSOKBQMCSQACY-INIZCTEOSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
4-chloro-N-[(2S,3S)-1-hydroxy-3-(4-methoxyphenyl)hexan-2-yl]benzenesulfonamide
CID 68539073
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide (CID 40753625) is 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide is CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide?
The InChIKey is XJSOKBQMCSQACY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-3-16(12-4-8-14(21-2)9-5-12)18-22(19,20)15-10-6-13(17)7-11-15/h4-11,16,18H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide?
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 40753625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).