N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide

C23H24ClNO5S — CID 93207637

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24ClNO5S/c1-16(17-8-10-18(24)11-9-17)25(19-12-13-22(29-3)23(14-19)30-4)31(26,27)21-7-5-6-20(15-21)28-2/h5-16H,1-4H3/t16-/m0/s1
InChIKeyISQZAFMOODBIQO-INIZCTEOSA-N
MW461.97 g/mol
LogP5.32
Rot. Bonds8

About N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide (PubChem CID 93207637) has the molecular formula C23H24ClNO5S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
PubChem CID93207637
Molecular FormulaC23H24ClNO5S
Molecular Weight461.97 g/mol
Exact Mass461.11
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24ClNO5S/c1-16(17-8-10-18(24)11-9-17)25(19-12-13-22(29-3)23(14-19)30-4)31(26,27)21-7-5-6-20(15-21)28-2/h5-16H,1-4H3/t16-/m0/s1
InChIKeyISQZAFMOODBIQO-INIZCTEOSA-N
XLogP5.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 46023207
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 93207154
N-[(1S)-1-(3-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-4-nitrobenzenesulfonamide
CID 93207474
N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 93207406
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide
CID 46022645
N-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methoxybenzenesulfonamide
CID 93207500
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide (CID 93207637) is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide?
The InChIKey is ISQZAFMOODBIQO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24ClNO5S/c1-16(17-8-10-18(24)11-9-17)25(19-12-13-22(29-3)23(14-19)30-4)31(26,27)21-7-5-6-20(15-21)28-2/h5-16H,1-4H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide has a molecular weight of 461.97 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 93207637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).