3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

C18H22N2O3S2 — CID 47956493

IUPAC3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H22N2O3S2/c1-14(11-15-7-10-24-13-15)19-25(22,23)17-6-4-5-16(12-17)18(21)20-8-2-3-9-20/h4-7,10,12-14,19H,2-3,8-9,11H2,1H3
InChIKeyZJFLDNSLFLCHPR-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.89
Rot. Bonds6

About 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 47956493) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID47956493
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H22N2O3S2/c1-14(11-15-7-10-24-13-15)19-25(22,23)17-6-4-5-16(12-17)18(21)20-8-2-3-9-20/h4-7,10,12-14,19H,2-3,8-9,11H2,1H3
InChIKeyZJFLDNSLFLCHPR-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 77083005
(3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181425
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 109062908
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N,N-dimethyl-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide
CID 9180500
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 78902809
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (CID 47956493) is 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is ZJFLDNSLFLCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14(11-15-7-10-24-13-15)19-25(22,23)17-6-4-5-16(12-17)18(21)20-8-2-3-9-20/h4-7,10,12-14,19H,2-3,8-9,11H2,1H3.
What are the key properties of 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47956493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).