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

C15H10ClN3O4S2 — CID 174378754

IUPACN-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(-c2csc(N(Cl)S(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C15H10ClN3O4S2/c16-18(25(22,23)13-7-2-1-3-8-13)15-17-14(10-24-15)11-5-4-6-12(9-11)19(20)21/h1-10H
InChIKeyBQZUROFQOZNPSE-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.07
Rot. Bonds5

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

N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 174378754) has the molecular formula C15H10ClN3O4S2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID174378754
Molecular FormulaC15H10ClN3O4S2
Molecular Weight395.85 g/mol
Exact Mass394.98
IUPAC NameN-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(-c2csc(N(Cl)S(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C15H10ClN3O4S2/c16-18(25(22,23)13-7-2-1-3-8-13)15-17-14(10-24-15)11-5-4-6-12(9-11)19(20)21/h1-10H
InChIKeyBQZUROFQOZNPSE-UHFFFAOYSA-N
XLogP4.07
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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

4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
2-[methyl(sulfinato)amino]-4-(3-nitrophenyl)-1,3-thiazole
CID 90138603
2-[methyl(sulfino)amino]-4-(3-nitrophenyl)-1,3-thiazole
CID 90138604
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 45045947
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
4-(3-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
CID 9174104
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
N-(3,4-dimethoxyphenyl)sulfonyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]morpholine-4-carbothioamide
CID 24812329

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 174378754) is N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=[N+]([O-])c1cccc(-c2csc(N(Cl)S(=O)(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is BQZUROFQOZNPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S2/c16-18(25(22,23)13-7-2-1-3-8-13)15-17-14(10-24-15)11-5-4-6-12(9-11)19(20)21/h1-10H.
What are the key properties of N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 395.85 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 174378754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).