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

C15H12N4O4S2 — CID 10407177

IUPAC4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C15H12N4O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,16H2,(H,17,18)
InChIKeySAJMJWKYJRZVSC-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.10
Rot. Bonds5

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

4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 10407177) has the molecular formula C15H12N4O4S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID10407177
Molecular FormulaC15H12N4O4S2
Molecular Weight376.42 g/mol
Exact Mass376.03
IUPAC Name4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C15H12N4O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,16H2,(H,17,18)
InChIKeySAJMJWKYJRZVSC-UHFFFAOYSA-N
XLogP3.10
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-Amino-4-(p-nitrophenyl)thiazole
CID 16420
2-Amino-4-(3-nitrophenyl)thiazole
CID 613504
N-aryl-4-aryl-1,3-thiazole-2-amine, 28
CID 25101047
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 748055
4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 1104657
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 892402
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 973022
4-Methyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 4233969
4-Amino-N-[4-(2-fluoro-5-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 9844850
N-[4-(3-Nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10393215
3,4-Dichloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10526613
4-Isopropyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10763694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 10407177) is 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1.
What is the InChIKey of 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is SAJMJWKYJRZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,16H2,(H,17,18).
What are the key properties of 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 376.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10407177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).