4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

C12H18Cl2N2O2S — CID 119976932

IUPAC4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S.ClH/c13-11-1-3-12(4-2-11)18(16,17)15-8-6-10-5-7-14-9-10;/h1-4,10,14-15H,5-9H2;1H
InChIKeyNHMWFIQFDLCWSV-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.04
Rot. Bonds5

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

4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119976932) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119976932
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S.ClH/c13-11-1-3-12(4-2-11)18(16,17)15-8-6-10-5-7-14-9-10;/h1-4,10,14-15H,5-9H2;1H
InChIKeyNHMWFIQFDLCWSV-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119977058
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977160
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
5-chloro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-sulfonamide
CID 63622140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119976932) is 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCNC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is NHMWFIQFDLCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c13-11-1-3-12(4-2-11)18(16,17)15-8-6-10-5-7-14-9-10;/h1-4,10,14-15H,5-9H2;1H.
What are the key properties of 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).