6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide

C14H16ClN3O2S — CID 62980326

IUPAC6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-10(12-5-3-4-6-13(12)15)18(2)21(19,20)11-7-8-14(16)17-9-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyHOXHRODFQIOVBL-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.70
Rot. Bonds4

About 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide

6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 62980326) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
PubChem CID62980326
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-10(12-5-3-4-6-13(12)15)18(2)21(19,20)11-7-8-14(16)17-9-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyHOXHRODFQIOVBL-UHFFFAOYSA-N
XLogP2.70
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide (CID 62980326) is 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide is CC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is HOXHRODFQIOVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10(12-5-3-4-6-13(12)15)18(2)21(19,20)11-7-8-14(16)17-9-11/h3-10H,1-2H3,(H2,16,17).
What are the key properties of 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62980326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).