2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C10H14Cl2N2O2S — CID 119967181

IUPAC2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-8-5-6-12-7-8;/h1-4,8,12-13H,5-7H2;1H
InChIKeyDNMZTCONDAVOPL-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.40
Rot. Bonds3

About 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119967181) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119967181
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-8-5-6-12-7-8;/h1-4,8,12-13H,5-7H2;1H
InChIKeyDNMZTCONDAVOPL-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120707123
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
2-chloro-5-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685707
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119967181) is 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is DNMZTCONDAVOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S.ClH/c11-9-3-1-2-4-10(9)16(14,15)13-8-5-6-12-7-8;/h1-4,8,12-13H,5-7H2;1H.
What are the key properties of 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 297.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119967181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).