3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide

C17H20ClNO4S — CID 110601522

IUPAC3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(C)c(Cl)c2)c(OC)c1
InChIInChI=1S/C17H20ClNO4S/c1-12-4-7-15(11-16(12)18)24(20,21)19-9-8-13-5-6-14(22-2)10-17(13)23-3/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyWSVGKMFLEMBMNT-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.19
Rot. Bonds7

About 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide

3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 110601522) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID110601522
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(C)c(Cl)c2)c(OC)c1
InChIInChI=1S/C17H20ClNO4S/c1-12-4-7-15(11-16(12)18)24(20,21)19-9-8-13-5-6-14(22-2)10-17(13)23-3/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyWSVGKMFLEMBMNT-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 110601522) is 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(C)c(Cl)c2)c(OC)c1.
What is the InChIKey of 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is WSVGKMFLEMBMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-12-4-7-15(11-16(12)18)24(20,21)19-9-8-13-5-6-14(22-2)10-17(13)23-3/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110601522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).