3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide

C8H14ClN3O2S — CID 79585965

IUPAC3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C8H14ClN3O2S/c1-7(5-9)6-15(13,14)11-8-3-4-10-12(8)2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyYTBNMVZWSXJIKR-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.04
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide

3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide (PubChem CID 79585965) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide
PubChem CID79585965
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C8H14ClN3O2S/c1-7(5-9)6-15(13,14)11-8-3-4-10-12(8)2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyYTBNMVZWSXJIKR-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
CID 62022653
3-chloro-2-methyl-N-(1,2,4-triazin-3-yl)propane-1-sulfonamide
CID 114389018
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586327
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296
(2-methylpyrazol-3-yl)sulfamoyl formate
CID 174690965
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360
2-methoxy-3-methyl-N-[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]butane-1-sulfonamide
CID 167914077

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide (CID 79585965) is 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1ccnn1C.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide?
The InChIKey is YTBNMVZWSXJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-7(5-9)6-15(13,14)11-8-3-4-10-12(8)2/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 79585965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).