N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide

C13H14ClN3O2S — CID 62164717

IUPACN-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-15-13-12(3-2-8-16-13)20(18,19)17-9-10-4-6-11(14)7-5-10/h2-8,17H,9H2,1H3,(H,15,16)
InChIKeyBEYIQZXVRCWYIP-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide

N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62164717) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62164717
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-15-13-12(3-2-8-16-13)20(18,19)17-9-10-4-6-11(14)7-5-10/h2-8,17H,9H2,1H3,(H,15,16)
InChIKeyBEYIQZXVRCWYIP-UHFFFAOYSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012
2-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 62156810
N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62532935
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide (CID 62164717) is N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is BEYIQZXVRCWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-15-13-12(3-2-8-16-13)20(18,19)17-9-10-4-6-11(14)7-5-10/h2-8,17H,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62164717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).