N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide

C16H18ClNO3S — CID 134843251

IUPACN-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-12-3-9-15(10-4-12)22(19,20)18-11-16(21-2)13-5-7-14(17)8-6-13/h3-10,16,18H,11H2,1-2H3
InChIKeyHJWCTMQVIQJUFB-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide (PubChem CID 134843251) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
PubChem CID134843251
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC NameN-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-12-3-9-15(10-4-12)22(19,20)18-11-16(21-2)13-5-7-14(17)8-6-13/h3-10,16,18H,11H2,1-2H3
InChIKeyHJWCTMQVIQJUFB-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
CID 14536982
N-[2-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]-4-methylbenzenesulfonamide
CID 154718750
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 23649731
N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
CID 51356515
N-[(2S)-2-(4-tert-butylphenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
CID 139204992
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide (CID 134843251) is N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is HJWCTMQVIQJUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12-3-9-15(10-4-12)22(19,20)18-11-16(21-2)13-5-7-14(17)8-6-13/h3-10,16,18H,11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134843251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).