4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide

C9H14ClN3O3S — CID 114150458

IUPAC4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C9H14ClN3O3S/c1-13-9(7(10)4-11-13)17(15,16)12-5-8(14)6-2-3-6/h4,6,8,12,14H,2-3,5H2,1H3
InChIKeyHBMIXLSWCIARET-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.12
Rot. Bonds5

About 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 114150458) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
PubChem CID114150458
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C9H14ClN3O3S/c1-13-9(7(10)4-11-13)17(15,16)12-5-8(14)6-2-3-6/h4,6,8,12,14H,2-3,5H2,1H3
InChIKeyHBMIXLSWCIARET-UHFFFAOYSA-N
XLogP0.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
4-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150733
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106314133
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 106314134
4-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106314920
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
CID 106150769
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
CID 106314646
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide (CID 114150458) is 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC(O)C1CC1.
What is the InChIKey of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is HBMIXLSWCIARET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S/c1-13-9(7(10)4-11-13)17(15,16)12-5-8(14)6-2-3-6/h4,6,8,12,14H,2-3,5H2,1H3.
What are the key properties of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 279.75 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114150458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).