N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide

C15H16N2O3S2 — CID 650885

IUPACN-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C15H16N2O3S2/c18-15(17-9-3-4-10-17)12-6-1-2-7-13(12)16-22(19,20)14-8-5-11-21-14/h1-2,5-8,11,16H,3-4,9-10H2
InChIKeyCEDIYTIOUMEPLN-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide

N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 650885) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID650885
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C15H16N2O3S2/c18-15(17-9-3-4-10-17)12-6-1-2-7-13(12)16-22(19,20)14-8-5-11-21-14/h1-2,5-8,11,16H,3-4,9-10H2
InChIKeyCEDIYTIOUMEPLN-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
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2-[(methylsulfonyl)amino]-N-[2-(phenylthio)ethyl]benzamide
CID 2234045
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
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4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 724147
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
2-[(Thiophen-2-ylacetyl)amino]benzamide
CID 1147556
[3-[[5-(Benzamidomethyl)thiophen-2-yl]sulfonylamino]phenyl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide (CID 650885) is N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCC1.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is CEDIYTIOUMEPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-15(17-9-3-4-10-17)12-6-1-2-7-13(12)16-22(19,20)14-8-5-11-21-14/h1-2,5-8,11,16H,3-4,9-10H2.
What are the key properties of N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 650885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).