1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide

C9H13ClN4O3S — CID 43415310

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC2C(N)=O)c1Cl
InChIInChI=1S/C9H13ClN4O3S/c1-13-5-12-9(7(13)10)18(16,17)14-4-2-3-6(14)8(11)15/h5-6H,2-4H2,1H3,(H2,11,15)
InChIKeyLVDKEFOLQHWYJN-UHFFFAOYSA-N
MW292.75 g/mol
LogP-0.29
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide

1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43415310) has the molecular formula C9H13ClN4O3S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43415310
Molecular FormulaC9H13ClN4O3S
Molecular Weight292.75 g/mol
Exact Mass292.04
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC2C(N)=O)c1Cl
InChIInChI=1S/C9H13ClN4O3S/c1-13-5-12-9(7(13)10)18(16,17)14-4-2-3-6(14)8(11)15/h5-6H,2-4H2,1H3,(H2,11,15)
InChIKeyLVDKEFOLQHWYJN-UHFFFAOYSA-N
XLogP-0.29
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 35329889
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
CID 43415551
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 35610424
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 61041426
(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 92952190
(4aS,8aS)-4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51891765
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
(3R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 51983555
2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 55681666
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896804
(3S)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303035
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide (CID 43415310) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC2C(N)=O)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LVDKEFOLQHWYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3S/c1-13-5-12-9(7(13)10)18(16,17)14-4-2-3-6(14)8(11)15/h5-6H,2-4H2,1H3,(H2,11,15).
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43415310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).