6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide

C13H13Cl2N3O2S — CID 64602441

IUPAC6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2S/c1-18(8-9-3-2-4-10(14)5-9)21(19,20)11-6-12(15)13(16)17-7-11/h2-7H,8H2,1H3,(H2,16,17)
InChIKeyDPCRGNJGOLBYAJ-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.79
Rot. Bonds4

About 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide

6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 64602441) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID64602441
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2S/c1-18(8-9-3-2-4-10(14)5-9)21(19,20)11-6-12(15)13(16)17-7-11/h2-7H,8H2,1H3,(H2,16,17)
InChIKeyDPCRGNJGOLBYAJ-UHFFFAOYSA-N
XLogP2.79
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61105388
6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64602647
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzenesulfonamide
CID 61417227
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
6-amino-5-chloro-N-(3-methoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 64601866
6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 64600904
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937898
6-amino-5-chloro-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64606792
6-amino-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 64601867
6-amino-5-chloro-N-ethyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64606773
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 64602441) is 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is DPCRGNJGOLBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-18(8-9-3-2-4-10(14)5-9)21(19,20)11-6-12(15)13(16)17-7-11/h2-7H,8H2,1H3,(H2,16,17).
What are the key properties of 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 346.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64602441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).