N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide

C21H20ClNO3S — CID 93207470

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClNO3S/c1-16(17-7-6-8-18(22)15-17)23(19-9-4-3-5-10-19)27(24,25)21-13-11-20(26-2)12-14-21/h3-16H,1-2H3/t16-/m0/s1
InChIKeyOJKHNWNSALZUEP-INIZCTEOSA-N
MW401.92 g/mol
LogP5.31
Rot. Bonds6

About N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 93207470) has the molecular formula C21H20ClNO3S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID93207470
Molecular FormulaC21H20ClNO3S
Molecular Weight401.92 g/mol
Exact Mass401.09
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClNO3S/c1-16(17-7-6-8-18(22)15-17)23(19-9-4-3-5-10-19)27(24,25)21-13-11-20(26-2)12-14-21/h3-16H,1-2H3/t16-/m0/s1
InChIKeyOJKHNWNSALZUEP-INIZCTEOSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
5-chloro-2-fluoro-N-(4-methoxyphenyl)-N-(1-phenylethyl)benzenesulfonamide
CID 46023144
N-[(1S)-1-(3-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-4-nitrobenzenesulfonamide
CID 93207474
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide
CID 46022645
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207265
4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 93207092

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide (CID 93207470) is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is OJKHNWNSALZUEP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClNO3S/c1-16(17-7-6-8-18(22)15-17)23(19-9-4-3-5-10-19)27(24,25)21-13-11-20(26-2)12-14-21/h3-16H,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 401.92 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 93207470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).