1-(benzenesulfonyl)pyrrolidine-2-carboxamide

C11H14N2O3S — CID 42925351

IUPAC1-(benzenesulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3S/c12-11(14)10-7-4-8-13(10)17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,12,14)
InChIKeyBHOKTYCNSCTRTD-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.32
Rot. Bonds3

About 1-(benzenesulfonyl)pyrrolidine-2-carboxamide

1-(benzenesulfonyl)pyrrolidine-2-carboxamide (PubChem CID 42925351) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolidine-2-carboxamide
PubChem CID42925351
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(benzenesulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3S/c12-11(14)10-7-4-8-13(10)17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,12,14)
InChIKeyBHOKTYCNSCTRTD-UHFFFAOYSA-N
XLogP0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)pyrrolidine-2-carboxamide (CID 42925351) is 1-(benzenesulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is BHOKTYCNSCTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-11(14)10-7-4-8-13(10)17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,12,14).
What are the key properties of 1-(benzenesulfonyl)pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42925351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).