N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide

C13H15F2N3O3S — CID 22206076

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(C)cc2OC(F)F)cn1
InChIInChI=1S/C13H15F2N3O3S/c1-3-18-8-10(7-16-18)22(19,20)17-11-5-4-9(2)6-12(11)21-13(14)15/h4-8,13,17H,3H2,1-2H3
InChIKeyHGABHSAUHJCDTD-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide

N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 22206076) has the molecular formula C13H15F2N3O3S and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID22206076
Molecular FormulaC13H15F2N3O3S
Molecular Weight331.34 g/mol
Exact Mass331.08
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(C)cc2OC(F)F)cn1
InChIInChI=1S/C13H15F2N3O3S/c1-3-18-8-10(7-16-18)22(19,20)17-11-5-4-9(2)6-12(11)21-13(14)15/h4-8,13,17H,3H2,1-2H3
InChIKeyHGABHSAUHJCDTD-UHFFFAOYSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774330
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 106031094
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474320
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 75392529
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049
1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 126841204
1-ethyl-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-sulfonamide
CID 53190705
1-[2-(difluoromethoxy)-4-methylphenyl]-3-[1-(methoxymethyl)pyrazol-4-yl]thiourea
CID 19445654

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide (CID 22206076) is N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(C)cc2OC(F)F)cn1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is HGABHSAUHJCDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3S/c1-3-18-8-10(7-16-18)22(19,20)17-11-5-4-9(2)6-12(11)21-13(14)15/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 331.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22206076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).