2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide

C13H17Cl2NO3S — CID 30387821

IUPAC2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCCC2)c(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-16(9-5-3-4-6-9)20(17,18)11-8-7-10(19-2)12(14)13(11)15/h7-9H,3-6H2,1-2H3
InChIKeyIXLSXDGPNLEPJR-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.57
Rot. Bonds4

About 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide

2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 30387821) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide
PubChem CID30387821
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCCC2)c(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-16(9-5-3-4-6-9)20(17,18)11-8-7-10(19-2)12(14)13(11)15/h7-9H,3-6H2,1-2H3
InChIKeyIXLSXDGPNLEPJR-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-cyclopentyl-2-methoxy-N-methylbenzenesulfonamide
CID 102704178
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247630
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide (CID 30387821) is 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCCC2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is IXLSXDGPNLEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-16(9-5-3-4-6-9)20(17,18)11-8-7-10(19-2)12(14)13(11)15/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide?
2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 30387821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).