5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide

C13H19ClN4O3S — CID 46595951

IUPAC5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1Cl
InChIInChI=1S/C13H19ClN4O3S/c1-17-8-15-12(11(17)14)22(20,21)16-10-4-6-18(7-5-10)13(19)9-2-3-9/h8-10,16H,2-7H2,1H3
InChIKeyPOVKGKSLZPFGAN-UHFFFAOYSA-N
MW346.84 g/mol
LogP0.75
Rot. Bonds4

About 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 46595951) has the molecular formula C13H19ClN4O3S and a molecular weight of 346.84 g/mol. Its IUPAC name is 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide
PubChem CID46595951
Molecular FormulaC13H19ClN4O3S
Molecular Weight346.84 g/mol
Exact Mass346.09
IUPAC Name5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1Cl
InChIInChI=1S/C13H19ClN4O3S/c1-17-8-15-12(11(17)14)22(20,21)16-10-4-6-18(7-5-10)13(19)9-2-3-9/h8-10,16H,2-7H2,1H3
InChIKeyPOVKGKSLZPFGAN-UHFFFAOYSA-N
XLogP0.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 62320919
5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
5-chloro-1-methyl-N-(2-methylcyclopentyl)imidazole-4-sulfonamide
CID 63281688
5-chloro-1-methyl-N-(2-methylcyclohexyl)imidazole-4-sulfonamide
CID 43415288
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 61041426
5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide
CID 43616156
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide (CID 46595951) is 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1Cl.
What is the InChIKey of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is POVKGKSLZPFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O3S/c1-17-8-15-12(11(17)14)22(20,21)16-10-4-6-18(7-5-10)13(19)9-2-3-9/h8-10,16H,2-7H2,1H3.
What are the key properties of 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 346.84 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 46595951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).