3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C14H15N3O3S2 — CID 2093947

IUPAC3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H15N3O3S2/c18-13(16-14-15-6-9-21-14)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18)
InChIKeyYAIXXHUEXWSIFT-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.18
Rot. Bonds4

About 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2093947) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2093947
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H15N3O3S2/c18-13(16-14-15-6-9-21-14)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18)
InChIKeyYAIXXHUEXWSIFT-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2463702
2-chloro-5-(morpholin-4-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102161
5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 1247663
(E)-3-cycloheptyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10111868
(E)-3-cyclooctyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10159013
(E)-4-cyclopentyl-2-(4-methanesulfonyl-phenyl)-but-2-enoic acid thiazol-2-ylamide
CID 10271714

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 2093947) is 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YAIXXHUEXWSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c18-13(16-14-15-6-9-21-14)11-4-3-5-12(10-11)22(19,20)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2,(H,15,16,18).
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2093947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).