4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide

C10H14ClN3O3S — CID 106314646

IUPAC4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H14ClN3O3S/c1-14-10(9(11)6-12-14)18(16,17)13-7-2-4-8(15)5-3-7/h6-7,13H,2-5H2,1H3
InChIKeyMBKINHZUPCLUBP-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.86
Rot. Bonds3

About 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide (PubChem CID 106314646) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
PubChem CID106314646
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H14ClN3O3S/c1-14-10(9(11)6-12-14)18(16,17)13-7-2-4-8(15)5-3-7/h6-7,13H,2-5H2,1H3
InChIKeyMBKINHZUPCLUBP-UHFFFAOYSA-N
XLogP0.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106315126
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458
4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
CID 100649210
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106139065
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 106314134
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106314133
4-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150733
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973
4-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106314920
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 43652967

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide (CID 106314646) is 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide?
The InChIKey is MBKINHZUPCLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-14-10(9(11)6-12-14)18(16,17)13-7-2-4-8(15)5-3-7/h6-7,13H,2-5H2,1H3.
What are the key properties of 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide has a molecular weight of 291.76 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106314646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).