2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide

C14H16ClN3O2S — CID 62980507

IUPAC2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C14H16ClN3O2S/c1-10(12-5-3-4-6-13(12)15)18(2)21(19,20)11-7-8-17-14(16)9-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyPKLSCGNVXGRBFA-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide

2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide (PubChem CID 62980507) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
PubChem CID62980507
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C14H16ClN3O2S/c1-10(12-5-3-4-6-13(12)15)18(2)21(19,20)11-7-8-17-14(16)9-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyPKLSCGNVXGRBFA-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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Related Compounds

6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326
2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 61045211
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
2-amino-N-methyl-N-(2-methylbutyl)pyridine-4-sulfonamide
CID 62143940
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
CID 106268141
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 80824315
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide (CID 62980507) is 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide is CC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
The InChIKey is PKLSCGNVXGRBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10(12-5-3-4-6-13(12)15)18(2)21(19,20)11-7-8-17-14(16)9-11/h3-10H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-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 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 62980507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).