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

C17H13BrN2O3S2 — CID 41189986

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C17H13BrN2O3S2/c1-25(22,23)14-8-4-12(5-9-14)16(21)20-17-19-15(10-24-17)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20,21)
InChIKeyHLARCKVDDOCHGL-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.23
Rot. Bonds4

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide (PubChem CID 41189986) has the molecular formula C17H13BrN2O3S2 and a molecular weight of 437.34 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
PubChem CID41189986
Molecular FormulaC17H13BrN2O3S2
Molecular Weight437.34 g/mol
Exact Mass435.96
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C17H13BrN2O3S2/c1-25(22,23)14-8-4-12(5-9-14)16(21)20-17-19-15(10-24-17)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20,21)
InChIKeyHLARCKVDDOCHGL-UHFFFAOYSA-N
XLogP4.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 43981157
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 4161296

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide (CID 41189986) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The InChIKey is HLARCKVDDOCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3S2/c1-25(22,23)14-8-4-12(5-9-14)16(21)20-17-19-15(10-24-17)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 41189986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).