3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

C19H24ClNO3S — CID 30404935

IUPAC3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl
InChIInChI=1S/C19H24ClNO3S/c1-6-24-19-8-7-16(11-18(19)20)25(22,23)21-15(5)17-10-13(3)12(2)9-14(17)4/h7-11,15,21H,6H2,1-5H3/t15-/m0/s1
InChIKeyDLWIUQANIAKOTB-HNNXBMFYSA-N
MW381.93 g/mol
LogP4.70
Rot. Bonds6

About 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 30404935) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
PubChem CID30404935
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl
InChIInChI=1S/C19H24ClNO3S/c1-6-24-19-8-7-16(11-18(19)20)25(22,23)21-15(5)17-10-13(3)12(2)9-14(17)4/h7-11,15,21H,6H2,1-5H3/t15-/m0/s1
InChIKeyDLWIUQANIAKOTB-HNNXBMFYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402290
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217876
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906438
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402279
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (CID 30404935) is 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is DLWIUQANIAKOTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-6-24-19-8-7-16(11-18(19)20)25(22,23)21-15(5)17-10-13(3)12(2)9-14(17)4/h7-11,15,21H,6H2,1-5H3/t15-/m0/s1.
What are the key properties of 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30404935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).