2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide

C17H14N4O6S2 — CID 108802071

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C17H14N4O6S2/c22-15-9-12(21(24)25)6-7-14(15)19-16(23)8-11-10-28-17(18-11)20-29(26,27)13-4-2-1-3-5-13/h1-7,9-10,22H,8H2,(H,18,20)(H,19,23)
InChIKeyYRQYHJUTEBWNGF-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.74
Rot. Bonds7

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide (PubChem CID 108802071) has the molecular formula C17H14N4O6S2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
PubChem CID108802071
Molecular FormulaC17H14N4O6S2
Molecular Weight434.46 g/mol
Exact Mass434.04
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C17H14N4O6S2/c22-15-9-12(21(24)25)6-7-14(15)19-16(23)8-11-10-28-17(18-11)20-29(26,27)13-4-2-1-3-5-13/h1-7,9-10,22H,8H2,(H,18,20)(H,19,23)
InChIKeyYRQYHJUTEBWNGF-UHFFFAOYSA-N
XLogP2.74
TPSA151.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
CID 108789180
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18572006
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[(4-nitrophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 121215679

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide (CID 108802071) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide?
The InChIKey is YRQYHJUTEBWNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O6S2/c22-15-9-12(21(24)25)6-7-14(15)19-16(23)8-11-10-28-17(18-11)20-29(26,27)13-4-2-1-3-5-13/h1-7,9-10,22H,8H2,(H,18,20)(H,19,23).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide has a molecular weight of 434.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 108802071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).