N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide

C17H15BrN2O2S2 — CID 166357647

IUPACN-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H15BrN2O2S2/c1-2-12-10-14(18)8-9-15(12)20-24(21,22)16-11-19-17(23-16)13-6-4-3-5-7-13/h3-11,20H,2H2,1H3
InChIKeyIDWVQKXOTLCSKM-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.94
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide

N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide (PubChem CID 166357647) has the molecular formula C17H15BrN2O2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide
PubChem CID166357647
Molecular FormulaC17H15BrN2O2S2
Molecular Weight423.36 g/mol
Exact Mass421.98
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H15BrN2O2S2/c1-2-12-10-14(18)8-9-15(12)20-24(21,22)16-11-19-17(23-16)13-6-4-3-5-7-13/h3-11,20H,2H2,1H3
InChIKeyIDWVQKXOTLCSKM-UHFFFAOYSA-N
XLogP4.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide
CID 167727665
2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
CID 81289719
3-methoxy-4-[[2-[4-(4-phenylcyclohexyl)phenyl]-1,3-thiazol-5-yl]sulfonylamino]benzoic acid
CID 167475722
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81288025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide (CID 166357647) is N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IDWVQKXOTLCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S2/c1-2-12-10-14(18)8-9-15(12)20-24(21,22)16-11-19-17(23-16)13-6-4-3-5-7-13/h3-11,20H,2H2,1H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide?
N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide has a molecular weight of 423.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 166357647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).