1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide

C17H20ClNO3S — CID 43907995

IUPAC1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-17(13-8-10-15(22-2)11-9-13)19-23(20,21)12-14-6-4-5-7-16(14)18/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDMGMDBXGMFRPEK-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide

1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide (PubChem CID 43907995) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
PubChem CID43907995
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-17(13-8-10-15(22-2)11-9-13)19-23(20,21)12-14-6-4-5-7-16(14)18/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDMGMDBXGMFRPEK-UHFFFAOYSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide (CID 43907995) is 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide is CCC(NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide?
The InChIKey is DMGMDBXGMFRPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-3-17(13-8-10-15(22-2)11-9-13)19-23(20,21)12-14-6-4-5-7-16(14)18/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 43907995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).