1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide

C16H16ClN3O3S — CID 660638

IUPAC1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16ClN3O3S/c17-12-8-9-15(18-11-12)19-16(21)14-7-4-10-20(14)24(22,23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,18,19,21)
InChIKeyWNGBQQXRNSTVCD-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.53
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 660638) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID660638
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16ClN3O3S/c17-12-8-9-15(18-11-12)19-16(21)14-7-4-10-20(14)24(22,23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,18,19,21)
InChIKeyWNGBQQXRNSTVCD-UHFFFAOYSA-N
XLogP2.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide (CID 660638) is 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is WNGBQQXRNSTVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-12-8-9-15(18-11-12)19-16(21)14-7-4-10-20(14)24(22,23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,18,19,21).
What are the key properties of 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 660638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).