N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C16H18FN3O5S3 — CID 55980690

IUPACN-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C16H18FN3O5S3/c17-12-7-13(9-14(8-12)27(18,22)23)19-16(21)11-3-1-5-20(10-11)28(24,25)15-4-2-6-26-15/h2,4,6-9,11H,1,3,5,10H2,(H,19,21)(H2,18,22,23)
InChIKeyCVAIOYYOWIQSDC-UHFFFAOYSA-N
MW447.54 g/mol
LogP1.57
Rot. Bonds5

About N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55980690) has the molecular formula C16H18FN3O5S3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55980690
Molecular FormulaC16H18FN3O5S3
Molecular Weight447.54 g/mol
Exact Mass447.04
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C16H18FN3O5S3/c17-12-7-13(9-14(8-12)27(18,22)23)19-16(21)11-3-1-5-20(10-11)28(24,25)15-4-2-6-26-15/h2,4,6-9,11H,1,3,5,10H2,(H,19,21)(H2,18,22,23)
InChIKeyCVAIOYYOWIQSDC-UHFFFAOYSA-N
XLogP1.57
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397559
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397582

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55980690) is N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is NS(=O)(=O)c1cc(F)cc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CVAIOYYOWIQSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O5S3/c17-12-7-13(9-14(8-12)27(18,22)23)19-16(21)11-3-1-5-20(10-11)28(24,25)15-4-2-6-26-15/h2,4,6-9,11H,1,3,5,10H2,(H,19,21)(H2,18,22,23).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55980690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).