N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide

C15H16ClNO3S — CID 110777958

IUPACN-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-4-3-5-12(8-11)10-21(18,19)17-15-7-6-13(20-2)9-14(15)16/h3-9,17H,10H2,1-2H3
InChIKeyUXUFAIHBSMGJIW-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.60
Rot. Bonds5

About N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide

N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110777958) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110777958
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-4-3-5-12(8-11)10-21(18,19)17-15-7-6-13(20-2)9-14(15)16/h3-9,17H,10H2,1-2H3
InChIKeyUXUFAIHBSMGJIW-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
CID 96680450
N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 75522855
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 110780305
1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
CID 127510090
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane
CID 132546826
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide (CID 110777958) is N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide is COc1ccc(NS(=O)(=O)Cc2cccc(C)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is UXUFAIHBSMGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-4-3-5-12(8-11)10-21(18,19)17-15-7-6-13(20-2)9-14(15)16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide?
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110777958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).