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

C16H18ClNO4S — CID 1129595

IUPAC4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-21-15-8-3-12(11-16(15)22-2)9-10-18-23(19,20)14-6-4-13(17)5-7-14/h3-8,11,18H,9-10H2,1-2H3
InChIKeyJZWXDRGVKLPEBL-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.88
Rot. Bonds7

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

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 1129595) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID1129595
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-21-15-8-3-12(11-16(15)22-2)9-10-18-23(19,20)14-6-4-13(17)5-7-14/h3-8,11,18H,9-10H2,1-2H3
InChIKeyJZWXDRGVKLPEBL-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
CID 748770
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
CID 703894
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 8470294
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645561
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-fluoro-benzenesulfonamide
CID 646521
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 652692
N-(2-chlorobenzyl)-3,4-dimethoxybenzenesulfonamide
CID 888457
N-[2-(3,4-dimethoxyphenyl)ethyl]ethanesulfonamide
CID 896384
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 1092329
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2557119
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}benzenesulfonamide
CID 1114580
2-(3-chloro-4-fluorobenzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2243238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide (CID 1129595) is 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is JZWXDRGVKLPEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-15-8-3-12(11-16(15)22-2)9-10-18-23(19,20)14-6-4-13(17)5-7-14/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1129595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).