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

C13H14ClN3O2S — CID 43523987

IUPAC4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Cl)c1ccncc1
InChIInChI=1S/C13H14ClN3O2S/c1-9(10-4-6-16-7-5-10)17-20(18,19)13-3-2-11(15)8-12(13)14/h2-9,17H,15H2,1H3
InChIKeySZJNINHKPOBYPF-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.36
Rot. Bonds4

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

4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 43523987) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID43523987
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Cl)c1ccncc1
InChIInChI=1S/C13H14ClN3O2S/c1-9(10-4-6-16-7-5-10)17-20(18,19)13-3-2-11(15)8-12(13)14/h2-9,17H,15H2,1H3
InChIKeySZJNINHKPOBYPF-UHFFFAOYSA-N
XLogP2.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 114378879
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
5-amino-2-fluoro-3-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 80628123
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523979
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 43523987) is 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1Cl)c1ccncc1.
What is the InChIKey of 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is SZJNINHKPOBYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9(10-4-6-16-7-5-10)17-20(18,19)13-3-2-11(15)8-12(13)14/h2-9,17H,15H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43523987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).