2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide

C14H15ClN4O2S — CID 167892118

IUPAC2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCC(c3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C14H15ClN4O2S/c15-12-3-1-10(2-4-12)11-5-6-19(9-11)14-17-7-13(8-18-14)22(16,20)21/h1-4,7-8,11H,5-6,9H2,(H2,16,20,21)
InChIKeyLEFMKEDPWKWIRA-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.77
Rot. Bonds3

About 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide

2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide (PubChem CID 167892118) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide
PubChem CID167892118
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCC(c3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C14H15ClN4O2S/c15-12-3-1-10(2-4-12)11-5-6-19(9-11)14-17-7-13(8-18-14)22(16,20)21/h1-4,7-8,11H,5-6,9H2,(H2,16,20,21)
InChIKeyLEFMKEDPWKWIRA-UHFFFAOYSA-N
XLogP1.77
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide (CID 167892118) is 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide is NS(=O)(=O)c1cnc(N2CCC(c3ccc(Cl)cc3)C2)nc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide?
The InChIKey is LEFMKEDPWKWIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c15-12-3-1-10(2-4-12)11-5-6-19(9-11)14-17-7-13(8-18-14)22(16,20)21/h1-4,7-8,11H,5-6,9H2,(H2,16,20,21).
What are the key properties of 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide?
2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide has a molecular weight of 338.82 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 167892118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).