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

C17H20ClNO4S — CID 113091569

IUPAC3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H20ClNO4S/c1-17(2,12-8-9-15(22-3)16(10-12)23-4)19-24(20,21)14-7-5-6-13(18)11-14/h5-11,19H,1-4H3
InChIKeyDNMHAGSCPCQSNI-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.57
Rot. Bonds6

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

3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide (PubChem CID 113091569) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
PubChem CID113091569
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H20ClNO4S/c1-17(2,12-8-9-15(22-3)16(10-12)23-4)19-24(20,21)14-7-5-6-13(18)11-14/h5-11,19H,1-4H3
InChIKeyDNMHAGSCPCQSNI-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
CID 110441258
3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091776
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 110446078
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide (CID 113091569) is 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide is COc1ccc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide?
The InChIKey is DNMHAGSCPCQSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-17(2,12-8-9-15(22-3)16(10-12)23-4)19-24(20,21)14-7-5-6-13(18)11-14/h5-11,19H,1-4H3.
What are the key properties of 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide?
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 113091569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).