N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide

C15H16ClNO3S — CID 110777323

IUPACN-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-11-8-15(20-2)13(16)9-14(11)17-21(18,19)10-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3
InChIKeyPCBCEBZOQKJFEV-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.60
Rot. Bonds5

About N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide

N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 110777323) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID110777323
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-11-8-15(20-2)13(16)9-14(11)17-21(18,19)10-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3
InChIKeyPCBCEBZOQKJFEV-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-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
CID 127510090
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide (CID 110777323) is N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide is COc1cc(C)c(NS(=O)(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is PCBCEBZOQKJFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-8-15(20-2)13(16)9-14(11)17-21(18,19)10-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3.
What are the key properties of N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide?
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide 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-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110777323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).