3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C17H15N3O3S2 — CID 18127523

IUPAC3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H15N3O3S2/c1-25(22,23)20-14-9-5-8-13(10-14)16(21)19-17-18-15(11-24-17)12-6-3-2-4-7-12/h2-11,20H,1H3,(H,18,19,21)
InChIKeyBKFXEZIZQYAFAU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.43
Rot. Bonds5

About 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 18127523) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID18127523
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H15N3O3S2/c1-25(22,23)20-14-9-5-8-13(10-14)16(21)19-17-18-15(11-24-17)12-6-3-2-4-7-12/h2-11,20H,1H3,(H,18,19,21)
InChIKeyBKFXEZIZQYAFAU-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 18127523) is 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BKFXEZIZQYAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-25(22,23)20-14-9-5-8-13(10-14)16(21)19-17-18-15(11-24-17)12-6-3-2-4-7-12/h2-11,20H,1H3,(H,18,19,21).
What are the key properties of 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18127523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).