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

C16H18ClNO4S — CID 110601508

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

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

4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 110601508) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID110601508
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H18ClNO4S/c1-21-14-6-3-12(16(11-14)22-2)9-10-18-23(19,20)15-7-4-13(17)5-8-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyAXANJLACAVCPNO-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

3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
3-[(4-chlorophenyl)sulfonylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24548654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide (CID 110601508) is 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is AXANJLACAVCPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-14-6-3-12(16(11-14)22-2)9-10-18-23(19,20)15-7-4-13(17)5-8-15/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(2,4-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-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).