1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide

C18H22ClNO3S — CID 133210545

IUPAC1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22ClNO3S/c1-4-17(15-7-10-18(23-3)13(2)11-15)20-24(21,22)12-14-5-8-16(19)9-6-14/h5-11,17,20H,4,12H2,1-3H3
InChIKeyCOLDBPQGJRDABN-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.23
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide

1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide (PubChem CID 133210545) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide
PubChem CID133210545
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC Name1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22ClNO3S/c1-4-17(15-7-10-18(23-3)13(2)11-15)20-24(21,22)12-14-5-8-16(19)9-6-14/h5-11,17,20H,4,12H2,1-3H3
InChIKeyCOLDBPQGJRDABN-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 133186551
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiourea
CID 100644151
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100667074

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide (CID 133210545) is 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide is CCC(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide?
The InChIKey is COLDBPQGJRDABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-4-17(15-7-10-18(23-3)13(2)11-15)20-24(21,22)12-14-5-8-16(19)9-6-14/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 133210545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).