N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide

C10H18ClN3O2S — CID 106145933

IUPACN-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(C)(C)CCCl
InChIInChI=1S/C10H18ClN3O2S/c1-10(2,5-6-11)8-13-17(15,16)9-4-7-12-14(9)3/h4,7,13H,5-6,8H2,1-3H3
InChIKeyUPCJMTJWBZIABG-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.35
Rot. Bonds6

About N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide

N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 106145933) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide
PubChem CID106145933
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(C)(C)CCCl
InChIInChI=1S/C10H18ClN3O2S/c1-10(2,5-6-11)8-13-17(15,16)9-4-7-12-14(9)3/h4,7,13H,5-6,8H2,1-3H3
InChIKeyUPCJMTJWBZIABG-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.35
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

1-ethyl-N-[(1-isopropylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 122556444
N-[4-(2-chloro-2-fluorocyclopropyl)butyl]-1-methylpyrazole-3-sulfonamide
CID 178258220
N,1-Dimethyl-1H-pyrazole-3-sulfonamide
CID 89970042
N,1-dimethyl-1H-pyrazole-5-sulfonamide
CID 112692806
N-butyl-2-(methoxymethyl)pyrazole-3-sulfonamide
CID 156186365
N-butyl-1-methylpyrazole-3-sulfonamide
CID 156186389
2-Methylpropane;1-methylpyrazole-3-sulfonamide
CID 160333502
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
1-(3,3-Dimethylbutyl)pyrazole-3-sulfonamide
CID 175084581
N-(2-chlorocyclohexyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 102638692

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide (CID 106145933) is N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is UPCJMTJWBZIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-10(2,5-6-11)8-13-17(15,16)9-4-7-12-14(9)3/h4,7,13H,5-6,8H2,1-3H3.
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide?
N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 106145933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).