(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide

C12H17ClN4O3S — CID 35610424

IUPAC(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1Cl
InChIInChI=1S/C12H17ClN4O3S/c1-16-7-14-12(10(16)13)21(19,20)17-6-2-3-9(17)11(18)15-8-4-5-8/h7-9H,2-6H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyCASURBVEXPTQHG-SECBINFHSA-N
MW332.81 g/mol
LogP0.51
Rot. Bonds4

About (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide

(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 35610424) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID35610424
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1Cl
InChIInChI=1S/C12H17ClN4O3S/c1-16-7-14-12(10(16)13)21(19,20)17-6-2-3-9(17)11(18)15-8-4-5-8/h7-9H,2-6H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyCASURBVEXPTQHG-SECBINFHSA-N
XLogP0.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
CID 43415551
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 61041426
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 35329889
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61047413
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
N-cyclopropyl-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 47372071
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
methyl 4-[(2R)-2-(cycloheptylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063581
(2R)-N-cyclopropyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 95134463

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide (CID 35610424) is (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide is Cn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1Cl.
What is the InChIKey of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is CASURBVEXPTQHG-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-16-7-14-12(10(16)13)21(19,20)17-6-2-3-9(17)11(18)15-8-4-5-8/h7-9H,2-6H2,1H3,(H,15,18)/t9-/m1/s1.
What are the key properties of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide?
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 35610424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).