4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

C13H19ClN2O3S — CID 63624523

IUPAC4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C13H19ClN2O3S/c1-19-12-8-11(14)2-3-13(12)20(17,18)16-7-5-10-4-6-15-9-10/h2-3,8,10,15-16H,4-7,9H2,1H3
InChIKeyBSPBPLJGNCXDCZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.63
Rot. Bonds6

About 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (PubChem CID 63624523) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
PubChem CID63624523
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C13H19ClN2O3S/c1-19-12-8-11(14)2-3-13(12)20(17,18)16-7-5-10-4-6-15-9-10/h2-3,8,10,15-16H,4-7,9H2,1H3
InChIKeyBSPBPLJGNCXDCZ-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120709577
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,3,4-trifluoro-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 129379078
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
CID 119979722
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
4-bromo-3-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977366
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977027
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (CID 63624523) is 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The InChIKey is BSPBPLJGNCXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-19-12-8-11(14)2-3-13(12)20(17,18)16-7-5-10-4-6-15-9-10/h2-3,8,10,15-16H,4-7,9H2,1H3.
What are the key properties of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63624523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).