N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide

C11H20ClN3O2S — CID 106118307

IUPACN-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C11H20ClN3O2S/c1-3-4-10(5-7-12)9-14-18(16,17)11-6-8-13-15(11)2/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyKALQQGCHJPUHTN-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide

N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 106118307) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide
PubChem CID106118307
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C11H20ClN3O2S/c1-3-4-10(5-7-12)9-14-18(16,17)11-6-8-13-15(11)2/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyKALQQGCHJPUHTN-UHFFFAOYSA-N
XLogP1.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.74
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

(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]pyrrolidin-3-amine
CID 72860493
N-(2,6-dimethylcyclohexyl)-2-methylpyrazole-3-sulfonamide
CID 121566443
1-ethyl-N-[(1-isopropylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 122556444
N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 128511768
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-3-sulfonamide
CID 136531662
N-[4-(2-chloro-2-fluorocyclopropyl)butyl]-1-methylpyrazole-3-sulfonamide
CID 178258220
N-methyl-N-(3-piperidinylmethyl)-1-propyl-1H-pyrazole-5-sulfonamide hydrochloride
CID 122565569
2-(methoxymethyl)-N-(3-methylbutyl)pyrazole-3-sulfonamide
CID 162751092
2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide
CID 166565562
1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide
CID 166565564
2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide
CID 167287792
2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide
CID 174164645

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide (CID 106118307) is N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide is CCCC(CCCl)CNS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is KALQQGCHJPUHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2S/c1-3-4-10(5-7-12)9-14-18(16,17)11-6-8-13-15(11)2/h6,8,10,14H,3-5,7,9H2,1-2H3.
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide?
N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 293.82 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 106118307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).