N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C16H14N2O2S2 — CID 684183

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1
InChIInChI=1S/C16H14N2O2S2/c1-12-17-16(11-21-12)13-6-5-7-14(10-13)18-22(19,20)15-8-3-2-4-9-15/h2-11,18H,1H3
InChIKeyWDFAHVMZKZYCNK-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.92
Rot. Bonds4

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 684183) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID684183
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1
InChIInChI=1S/C16H14N2O2S2/c1-12-17-16(11-21-12)13-6-5-7-14(10-13)18-22(19,20)15-8-3-2-4-9-15/h2-11,18H,1H3
InChIKeyWDFAHVMZKZYCNK-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8002269
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22109313
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52669079
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 684183) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is WDFAHVMZKZYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-12-17-16(11-21-12)13-6-5-7-14(10-13)18-22(19,20)15-8-3-2-4-9-15/h2-11,18H,1H3.
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 684183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).