1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide

C9H13ClN2O2S — CID 126637158

IUPAC1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C9H13ClN2O2S/c1-7(2)12-15(13,14)6-9-4-3-8(10)5-11-9/h3-5,7,12H,6H2,1-2H3
InChIKeyPONZVYSQRWWVQV-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.56
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide

1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 126637158) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide
PubChem CID126637158
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C9H13ClN2O2S/c1-7(2)12-15(13,14)6-9-4-3-8(10)5-11-9/h3-5,7,12H,6H2,1-2H3
InChIKeyPONZVYSQRWWVQV-UHFFFAOYSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide 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

N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
CID 146509533
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
2-(2-bromo-3-methylbutyl)-5-chloropyridine
CID 63204010
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
CID 140936519
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
(2S)-4-(5-chloro-2-pyridinyl)-N-ethylbutan-2-amine;hydrochloride
CID 158480549
1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
CID 126971830
3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide
CID 115906699

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide (CID 126637158) is 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is PONZVYSQRWWVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-7(2)12-15(13,14)6-9-4-3-8(10)5-11-9/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide?
1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 126637158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).