4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C16H17FN2O3S2 — CID 55597318

IUPAC4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17FN2O3S2/c17-14-6-5-12(16(20)18-11-13-4-3-9-23-13)10-15(14)24(21,22)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2,(H,18,20)
InChIKeyDBVNEFQWDQHTNH-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.60
Rot. Bonds5

About 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55597318) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55597318
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17FN2O3S2/c17-14-6-5-12(16(20)18-11-13-4-3-9-23-13)10-15(14)24(21,22)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2,(H,18,20)
InChIKeyDBVNEFQWDQHTNH-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4302428
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 24537837
4-fluoro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2994136
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 55597318) is 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is DBVNEFQWDQHTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-14-6-5-12(16(20)18-11-13-4-3-9-23-13)10-15(14)24(21,22)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2,(H,18,20).
What are the key properties of 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55597318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).