4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C12H12ClN3O2S — CID 115330084

IUPAC4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H12ClN3O2S/c1-8-4-5-15-7-12(8)16-19(17,18)9-2-3-11(14)10(13)6-9/h2-7,16H,14H2,1H3
InChIKeyAILQOCZDFRZFEM-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.43
Rot. Bonds3

About 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide

4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 115330084) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID115330084
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H12ClN3O2S/c1-8-4-5-15-7-12(8)16-19(17,18)9-2-3-11(14)10(13)6-9/h2-7,16H,14H2,1H3
InChIKeyAILQOCZDFRZFEM-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.43
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

3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
6-amino-5-chloro-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 64601518
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 115330084) is 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is AILQOCZDFRZFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-4-5-15-7-12(8)16-19(17,18)9-2-3-11(14)10(13)6-9/h2-7,16H,14H2,1H3.
What are the key properties of 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 115330084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).