4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide

C15H12ClN3O2S2 — CID 10761363

IUPAC4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O2S2/c16-12-8-11(17)6-7-14(12)23(20,21)19-15-18-13(9-22-15)10-4-2-1-3-5-10/h1-9H,17H2,(H,18,19)
InChIKeyXKOFDANRUFTDMA-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.85
Rot. Bonds4

About 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide

4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 10761363) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID10761363
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O2S2/c16-12-8-11(17)6-7-14(12)23(20,21)19-15-18-13(9-22-15)10-4-2-1-3-5-10/h1-9H,17H2,(H,18,19)
InChIKeyXKOFDANRUFTDMA-UHFFFAOYSA-N
XLogP3.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
2-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 167896231
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
methyl 4-fluoro-3-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 95038335

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 10761363) is 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XKOFDANRUFTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c16-12-8-11(17)6-7-14(12)23(20,21)19-15-18-13(9-22-15)10-4-2-1-3-5-10/h1-9H,17H2,(H,18,19).
What are the key properties of 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 365.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10761363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).