2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

C10H12Cl2N2O2S — CID 79684857

IUPAC2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-5-13-6-7/h1-3,7,13-14H,4-6H2/t7-/m0/s1
InChIKeyFZQZUOJNRCZHJU-ZETCQYMHSA-N
MW295.19 g/mol
LogP1.63
Rot. Bonds3

About 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79684857) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79684857
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-5-13-6-7/h1-3,7,13-14H,4-6H2/t7-/m0/s1
InChIKeyFZQZUOJNRCZHJU-ZETCQYMHSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575
2,4-dichloro-3-nitro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 104861916
3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120707591
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide
CID 43597819
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (CID 79684857) is 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCNC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is FZQZUOJNRCZHJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-7-4-5-13-6-7/h1-3,7,13-14H,4-6H2/t7-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 295.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).