4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C16H13N3O3S2 — CID 55759309

IUPAC4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H13N3O3S2/c20-15(18-16-19-17-11-23-16)13-8-6-12(7-9-13)10-24(21,22)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,19,20)
InChIKeyROQKAILAZILORG-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.76
Rot. Bonds5

About 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55759309) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55759309
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H13N3O3S2/c20-15(18-16-19-17-11-23-16)13-8-6-12(7-9-13)10-24(21,22)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,19,20)
InChIKeyROQKAILAZILORG-UHFFFAOYSA-N
XLogP2.76
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119648
4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
CID 91641553
4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 17319604
4-(benzenesulfonylmethyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55759385
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 55759309) is 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ROQKAILAZILORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c20-15(18-16-19-17-11-23-16)13-8-6-12(7-9-13)10-24(21,22)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,19,20).
What are the key properties of 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55759309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).