3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

C10H13ClN2O2S — CID 79685888

IUPAC3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O2S/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7H2/t9-/m1/s1
InChIKeyWIVJUWXSZUFZBE-SECBINFHSA-N
MW260.75 g/mol
LogP0.98
Rot. Bonds3

About 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79685888) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79685888
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O2S/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7H2/t9-/m1/s1
InChIKeyWIVJUWXSZUFZBE-SECBINFHSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (CID 79685888) is 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCNC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is WIVJUWXSZUFZBE-SECBINFHSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-8-2-1-3-10(6-8)16(14,15)13-9-4-5-12-7-9/h1-3,6,9,12-13H,4-5,7H2/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 260.75 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79685888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).