4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide

C12H13F2N3O3S — CID 81264874

IUPAC4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide
SMILESCCn1cc(COc2c(F)cc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C12H13F2N3O3S/c1-2-17-6-8(5-16-17)7-20-12-10(13)3-9(4-11(12)14)21(15,18)19/h3-6H,2,7H2,1H3,(H2,15,18,19)
InChIKeyDKUFMOYGEZXLCI-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.41
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide

4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide (PubChem CID 81264874) has the molecular formula C12H13F2N3O3S and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide
PubChem CID81264874
Molecular FormulaC12H13F2N3O3S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Name4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide
SMILESCCn1cc(COc2c(F)cc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C12H13F2N3O3S/c1-2-17-6-8(5-16-17)7-20-12-10(13)3-9(4-11(12)14)21(15,18)19/h3-6H,2,7H2,1H3,(H2,15,18,19)
InChIKeyDKUFMOYGEZXLCI-UHFFFAOYSA-N
XLogP1.41
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 7765645
4-ethoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 8933113
4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 4089498
N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 31912961
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307
N-[2-(4-fluorophenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822310
N-[2-(4-methoxyphenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822344
N,1-dimethyl-N-(3-phenoxypropyl)pyrazole-4-sulfonamide
CID 45822470
N-[3-(4-fluorophenoxy)propyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45825514
N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide
CID 56802965
1-((4-ethoxy-3-fluorophenyl)sulfonyl)-4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 86266987
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71997743

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide (CID 81264874) is 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide is CCn1cc(COc2c(F)cc(S(N)(=O)=O)cc2F)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide?
The InChIKey is DKUFMOYGEZXLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3S/c1-2-17-6-8(5-16-17)7-20-12-10(13)3-9(4-11(12)14)21(15,18)19/h3-6H,2,7H2,1H3,(H2,15,18,19).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide?
4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide has a molecular weight of 317.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 81264874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).