3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C14H16ClN3O2S — CID 43524314

IUPAC3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)c2ccccn2)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-12(15)7-11(8-13(9)16)21(19,20)18-10(2)14-5-3-4-6-17-14/h3-8,10,18H,16H2,1-2H3
InChIKeyLSFJHQJCFOMJPS-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 43524314) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID43524314
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)c2ccccn2)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-12(15)7-11(8-13(9)16)21(19,20)18-10(2)14-5-3-4-6-17-14/h3-8,10,18H,16H2,1-2H3
InChIKeyLSFJHQJCFOMJPS-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 43523626
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
3-amino-5-chloro-N-(1-cyclopropylethyl)-4-methylbenzenesulfonamide
CID 43533143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 43524314) is 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NC(C)c2ccccn2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is LSFJHQJCFOMJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-12(15)7-11(8-13(9)16)21(19,20)18-10(2)14-5-3-4-6-17-14/h3-8,10,18H,16H2,1-2H3.
What are the key properties of 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43524314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).