N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide

C23H24ClNO5S — CID 93207406

IUPACN-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@@H](C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C23H24ClNO5S/c1-16(22-15-20(29-3)11-14-23(22)30-4)25(18-7-5-17(24)6-8-18)31(26,27)21-12-9-19(28-2)10-13-21/h5-16H,1-4H3/t16-/m0/s1
InChIKeySMSKCGOAKZYODM-INIZCTEOSA-N
MW461.97 g/mol
LogP5.32
Rot. Bonds8

About N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide

N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 93207406) has the molecular formula C23H24ClNO5S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID93207406
Molecular FormulaC23H24ClNO5S
Molecular Weight461.97 g/mol
Exact Mass461.11
IUPAC NameN-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@@H](C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C23H24ClNO5S/c1-16(22-15-20(29-3)11-14-23(22)30-4)25(18-7-5-17(24)6-8-18)31(26,27)21-12-9-19(28-2)10-13-21/h5-16H,1-4H3/t16-/m0/s1
InChIKeySMSKCGOAKZYODM-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

4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 93207154
5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 42842005
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
CID 93207637
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 93207470
N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 46022772
2-(N-(4-chlorophenyl)sulfonyl-2,4-dimethoxyanilino)propanoic acid
CID 50895135

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide (CID 93207406) is N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@@H](C)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is SMSKCGOAKZYODM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24ClNO5S/c1-16(22-15-20(29-3)11-14-23(22)30-4)25(18-7-5-17(24)6-8-18)31(26,27)21-12-9-19(28-2)10-13-21/h5-16H,1-4H3/t16-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-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-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 93207406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).