2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide

C13H14ClN3O2S — CID 62158182

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C13H14ClN3O2S/c1-17(9-10-3-2-4-11(14)7-10)20(18,19)12-5-6-16-13(15)8-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyHRSPIVVDEMKKQE-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide

2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide (PubChem CID 62158182) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
PubChem CID62158182
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C13H14ClN3O2S/c1-17(9-10-3-2-4-11(14)7-10)20(18,19)12-5-6-16-13(15)8-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyHRSPIVVDEMKKQE-UHFFFAOYSA-N
XLogP2.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64602441
3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61105388
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzenesulfonamide
CID 61417227
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide
CID 61411825
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937898
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
2-amino-N-methyl-N-(2-methylbutyl)pyridine-4-sulfonamide
CID 62143940
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide (CID 62158182) is 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide is CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The InChIKey is HRSPIVVDEMKKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-17(9-10-3-2-4-11(14)7-10)20(18,19)12-5-6-16-13(15)8-12/h2-8H,9H2,1H3,(H2,15,16).
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 62158182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).