N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide

C12H11Cl2N3O2S — CID 70644194

IUPACN-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide
SMILESCc1cnc(N)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-4-11(12(15)16-6-7)17-20(18,19)8-2-3-9(13)10(14)5-8/h2-6,17H,1H3,(H2,15,16)
InChIKeyIFUUIVNQWSUYMV-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.08
Rot. Bonds3

About N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide

N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 70644194) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide
PubChem CID70644194
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide
SMILESCc1cnc(N)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-4-11(12(15)16-6-7)17-20(18,19)8-2-3-9(13)10(14)5-8/h2-6,17H,1H3,(H2,15,16)
InChIKeyIFUUIVNQWSUYMV-UHFFFAOYSA-N
XLogP3.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide (CID 70644194) is N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide is Cc1cnc(N)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is IFUUIVNQWSUYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-7-4-11(12(15)16-6-7)17-20(18,19)8-2-3-9(13)10(14)5-8/h2-6,17H,1H3,(H2,15,16).
What are the key properties of N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide?
N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methyl-3-pyridinyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 70644194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).