6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide

C14H20ClN3O2S — CID 95781637

IUPAC6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cnc1Cl
InChIInChI=1S/C14H20ClN3O2S/c1-10-6-13(8-16-14(10)15)21(19,20)17-7-11-4-5-18(9-11)12-2-3-12/h6,8,11-12,17H,2-5,7,9H2,1H3/t11-/m1/s1
InChIKeyAWOZMHKCSKPOHL-LLVKDONJSA-N
MW329.85 g/mol
LogP1.81
Rot. Bonds5

About 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide

6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide (PubChem CID 95781637) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
PubChem CID95781637
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cnc1Cl
InChIInChI=1S/C14H20ClN3O2S/c1-10-6-13(8-16-14(10)15)21(19,20)17-7-11-4-5-18(9-11)12-2-3-12/h6,8,11-12,17H,2-5,7,9H2,1H3/t11-/m1/s1
InChIKeyAWOZMHKCSKPOHL-LLVKDONJSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide 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-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63617321
5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61110999
6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64602628
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide
CID 75431022
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
5-bromo-2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61059517
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-chloropyrimidine-5-sulfonamide
CID 79080061
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 52539329

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide (CID 95781637) is 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide is Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cnc1Cl.
What is the InChIKey of 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide?
The InChIKey is AWOZMHKCSKPOHL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-10-6-13(8-16-14(10)15)21(19,20)17-7-11-4-5-18(9-11)12-2-3-12/h6,8,11-12,17H,2-5,7,9H2,1H3/t11-/m1/s1.
What are the key properties of 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide?
6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide has a molecular weight of 329.85 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 95781637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).