2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide

C14H12N4O3S2 — CID 110451808

IUPAC2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2s1
InChIInChI=1S/C14H12N4O3S2/c15-14-18-11-6-1-8(7-12(11)22-14)13(19)17-9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H2,15,18)(H,17,19)(H2,16,20,21)
InChIKeyZNLFRIZRCZIYJL-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.78
Rot. Bonds3

About 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 110451808) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID110451808
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2s1
InChIInChI=1S/C14H12N4O3S2/c15-14-18-11-6-1-8(7-12(11)22-14)13(19)17-9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H2,15,18)(H,17,19)(H2,16,20,21)
InChIKeyZNLFRIZRCZIYJL-UHFFFAOYSA-N
XLogP1.78
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide (CID 110451808) is 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2s1.
What is the InChIKey of 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZNLFRIZRCZIYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c15-14-18-11-6-1-8(7-12(11)22-14)13(19)17-9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H2,15,18)(H,17,19)(H2,16,20,21).
What are the key properties of 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110451808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).