N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C14H16ClN3O2S — CID 106087639

IUPACN-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-10-3-5-12(15)13(7-10)18-21(19,20)14-6-4-11(8-16-2)9-17-14/h3-7,9,16,18H,8H2,1-2H3
InChIKeyIFNZDSCWYQAQCQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.56
Rot. Bonds5

About N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106087639) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106087639
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-10-3-5-12(15)13(7-10)18-21(19,20)14-6-4-11(8-16-2)9-17-14/h3-7,9,16,18H,8H2,1-2H3
InChIKeyIFNZDSCWYQAQCQ-UHFFFAOYSA-N
XLogP2.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106087639) is N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)nc1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is IFNZDSCWYQAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10-3-5-12(15)13(7-10)18-21(19,20)14-6-4-11(8-16-2)9-17-14/h3-7,9,16,18H,8H2,1-2H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106087639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).