2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

C10H11Cl3N2O2S — CID 79686004

IUPAC2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O2S/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-7-1-2-14-5-7/h3-4,7,14-15H,1-2,5H2/t7-/m0/s1
InChIKeyPWGTULDEIWIQBB-ZETCQYMHSA-N
MW329.64 g/mol
LogP2.29
Rot. Bonds3

About 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79686004) has the molecular formula C10H11Cl3N2O2S and a molecular weight of 329.64 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79686004
Molecular FormulaC10H11Cl3N2O2S
Molecular Weight329.64 g/mol
Exact Mass327.96
IUPAC Name2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O2S/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-7-1-2-14-5-7/h3-4,7,14-15H,1-2,5H2/t7-/m0/s1
InChIKeyPWGTULDEIWIQBB-ZETCQYMHSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.64
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 80577813
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952
methyl 3-chloro-4-(pyrrolidin-3-ylsulfamoyl)benzoate
CID 119967067
4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 62380630
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (CID 79686004) is 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCNC1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is PWGTULDEIWIQBB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11Cl3N2O2S/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-7-1-2-14-5-7/h3-4,7,14-15H,1-2,5H2/t7-/m0/s1.
What are the key properties of 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 329.64 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79686004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).