N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide

C15H10BrClN2O2S2 — CID 91966356

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(18-14)19-23(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyCCJPVLRIVOTOBT-UHFFFAOYSA-N
MW429.75 g/mol
LogP5.03
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide (PubChem CID 91966356) has the molecular formula C15H10BrClN2O2S2 and a molecular weight of 429.75 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
PubChem CID91966356
Molecular FormulaC15H10BrClN2O2S2
Molecular Weight429.75 g/mol
Exact Mass427.91
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(18-14)19-23(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyCCJPVLRIVOTOBT-UHFFFAOYSA-N
XLogP5.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.75
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009168
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112769091
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
2-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxybenzenesulfonamide
CID 112773655
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009164

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide (CID 91966356) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide?
The InChIKey is CCJPVLRIVOTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(18-14)19-23(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide has a molecular weight of 429.75 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 91966356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).