N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide

C14H16ClN3O2S — CID 107465876

IUPACN-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H16ClN3O2S/c1-18(14-10-12(15)2-3-13(14)16)21(19,20)9-6-11-4-7-17-8-5-11/h2-5,7-8,10H,6,9,16H2,1H3
InChIKeySMOUENQTJHVYJH-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.33
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide

N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide (PubChem CID 107465876) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
PubChem CID107465876
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H16ClN3O2S/c1-18(14-10-12(15)2-3-13(14)16)21(19,20)9-6-11-4-7-17-8-5-11/h2-5,7-8,10H,6,9,16H2,1H3
InChIKeySMOUENQTJHVYJH-UHFFFAOYSA-N
XLogP2.33
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
CID 107465899
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
N-(2-amino-5-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 107465863
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 107465924
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
CID 82907539
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
3-[methyl(2-pyridin-4-ylethylsulfonyl)amino]propanethioamide
CID 60892675

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide (CID 107465876) is N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide is CN(c1cc(Cl)ccc1N)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
The InChIKey is SMOUENQTJHVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18(14-10-12(15)2-3-13(14)16)21(19,20)9-6-11-4-7-17-8-5-11/h2-5,7-8,10H,6,9,16H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 107465876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).