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

C15H13N3O2S2 — CID 892402

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESNc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1
InChIInChI=1S/C15H13N3O2S2/c16-15-17-14(10-21-15)11-5-4-6-12(9-11)18-22(19,20)13-7-2-1-3-8-13/h1-10,18H,(H2,16,17)
InChIKeyKKCQDIIMLNHEPG-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.19
Rot. Bonds4

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

N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 892402) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID892402
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESNc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1
InChIInChI=1S/C15H13N3O2S2/c16-15-17-14(10-21-15)11-5-4-6-12(9-11)18-22(19,20)13-7-2-1-3-8-13/h1-10,18H,(H2,16,17)
InChIKeyKKCQDIIMLNHEPG-UHFFFAOYSA-N
XLogP3.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
Sulfamethylthiazole
CID 68194
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-(3-Aminophenyl)-1,3-thiazol-2-amine
CID 236428

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 892402) is N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Nc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is KKCQDIIMLNHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c16-15-17-14(10-21-15)11-5-4-6-12(9-11)18-22(19,20)13-7-2-1-3-8-13/h1-10,18H,(H2,16,17).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 331.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 892402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).