1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide

C13H16ClN3O3S — CID 61047413

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H16ClN3O3S/c14-12-11(4-1-7-15-12)21(19,20)17-8-2-3-10(17)13(18)16-9-5-6-9/h1,4,7,9-10H,2-3,5-6,8H2,(H,16,18)
InChIKeyOSMIEFBKBJOOID-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.17
Rot. Bonds4

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 61047413) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID61047413
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H16ClN3O3S/c14-12-11(4-1-7-15-12)21(19,20)17-8-2-3-10(17)13(18)16-9-5-6-9/h1,4,7,9-10H,2-3,5-6,8H2,(H,16,18)
InChIKeyOSMIEFBKBJOOID-UHFFFAOYSA-N
XLogP1.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-[(2-chloro-3-pyridinyl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65318853
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpyrrolidine-2-carboxamide
CID 20862233
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 35610424
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-[(2-chloro-3-pyridinyl)sulfonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195192
(2R)-N-cyclopropyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 95134463
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 61047413) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is OSMIEFBKBJOOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c14-12-11(4-1-7-15-12)21(19,20)17-8-2-3-10(17)13(18)16-9-5-6-9/h1,4,7,9-10H,2-3,5-6,8H2,(H,16,18).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61047413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).