4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide

C11H12ClF3N2O2S — CID 62380630

IUPAC4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2
InChIKeyQZAHAJXUNQMERU-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 62380630) has the molecular formula C11H12ClF3N2O2S and a molecular weight of 328.74 g/mol. Its IUPAC name is 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID62380630
Molecular FormulaC11H12ClF3N2O2S
Molecular Weight328.74 g/mol
Exact Mass328.03
IUPAC Name4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2
InChIKeyQZAHAJXUNQMERU-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119967031
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119967030
4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651399
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
5-(benzenesulfonyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430553
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
N-(azepan-4-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 107172937
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide (CID 62380630) is 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCNC1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QZAHAJXUNQMERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2.
What are the key properties of 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 328.74 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 62380630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).