N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C17H18ClNO4S — CID 4101947

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO4S/c1-12-3-6-14(7-4-12)24(21,22)10-9-17(20)19-15-11-13(18)5-8-16(15)23-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyURSCMBQOKMNRIB-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.46
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 4101947) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID4101947
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO4S/c1-12-3-6-14(7-4-12)24(21,22)10-9-17(20)19-15-11-13(18)5-8-16(15)23-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyURSCMBQOKMNRIB-UHFFFAOYSA-N
XLogP3.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
CID 4104685
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 92481102
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 974707
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isopropylamino)sulfonyl]phenyl}propanamide
CID 1006992
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1007780
Methyl N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
CID 1103824
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(propylamino)sulfonyl]phenyl}propanamide
CID 2205326
N~1~-{2-[(2-chlorobenzyl)thio]ethyl}-N~2~-(2-methoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2287010
2-(Acetylamino)-4-chlorophenyl 4-methylbenzenesulfonate
CID 2294567
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
CID 2540194

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 4101947) is N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide is COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is URSCMBQOKMNRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-12-3-6-14(7-4-12)24(21,22)10-9-17(20)19-15-11-13(18)5-8-16(15)23-2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 367.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 4101947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).