N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C17H15BrN2O2S2 — CID 20974284

IUPACN-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(Br)c3)c2)cs1
InChIInChI=1S/C17H15BrN2O2S2/c1-11-6-7-13(16-10-23-12(2)19-16)8-17(11)24(21,22)20-15-5-3-4-14(18)9-15/h3-10,20H,1-2H3
InChIKeyPYUQKKYFIUPKTH-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.99
Rot. Bonds4

About N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 20974284) has the molecular formula C17H15BrN2O2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID20974284
Molecular FormulaC17H15BrN2O2S2
Molecular Weight423.36 g/mol
Exact Mass421.98
IUPAC NameN-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(Br)c3)c2)cs1
InChIInChI=1S/C17H15BrN2O2S2/c1-11-6-7-13(16-10-23-12(2)19-16)8-17(11)24(21,22)20-15-5-3-4-14(18)9-15/h3-10,20H,1-2H3
InChIKeyPYUQKKYFIUPKTH-UHFFFAOYSA-N
XLogP4.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
N-[3-[3-(4-bromophenyl)-3-fluoroazetidine-1-carbonyl]phenyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 166344343
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974264
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 164863451
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 20974284) is N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(Br)c3)c2)cs1.
What is the InChIKey of N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is PYUQKKYFIUPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S2/c1-11-6-7-13(16-10-23-12(2)19-16)8-17(11)24(21,22)20-15-5-3-4-14(18)9-15/h3-10,20H,1-2H3.
What are the key properties of N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 423.36 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 20974284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).