N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C16H13N3O4S2 — CID 60528746

IUPACN-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C16H13N3O4S2/c1-25(22,23)18-13-7-5-11(6-8-13)15-10-24-16(17-15)12-3-2-4-14(9-12)19(20)21/h2-10,18H,1H3
InChIKeyFOLCSFXYIAONPL-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.76
Rot. Bonds5

About N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 60528746) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID60528746
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC NameN-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C16H13N3O4S2/c1-25(22,23)18-13-7-5-11(6-8-13)15-10-24-16(17-15)12-3-2-4-14(9-12)19(20)21/h2-10,18H,1H3
InChIKeyFOLCSFXYIAONPL-UHFFFAOYSA-N
XLogP3.76
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 32500964
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
N,N-dimethyl-2-[[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methylsulfanyl]ethanamine
CID 54356857

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 60528746) is N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1.
What is the InChIKey of N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is FOLCSFXYIAONPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-25(22,23)18-13-7-5-11(6-8-13)15-10-24-16(17-15)12-3-2-4-14(9-12)19(20)21/h2-10,18H,1H3.
What are the key properties of N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 60528746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).