2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C13H16FN3O4S — CID 56806991

IUPAC2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)c2cnn(C)c2)cc1OC
InChIInChI=1S/C13H16FN3O4S/c1-16-8-9(7-15-16)17(2)22(18,19)13-6-12(21-4)11(20-3)5-10(13)14/h5-8H,1-4H3
InChIKeyARUKKRXZGOKAGX-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.40
Rot. Bonds5

About 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 56806991) has the molecular formula C13H16FN3O4S and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID56806991
Molecular FormulaC13H16FN3O4S
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)c2cnn(C)c2)cc1OC
InChIInChI=1S/C13H16FN3O4S/c1-16-8-9(7-15-16)17(2)22(18,19)13-6-12(21-4)11(20-3)5-10(13)14/h5-8H,1-4H3
InChIKeyARUKKRXZGOKAGX-UHFFFAOYSA-N
XLogP1.40
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 31912961
2-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)ethanesulfonamide
CID 60343625
(3-fluoro-4-methoxyphenylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428268
1-(3,4-Dimethoxyphenyl)sulfonyl-4-nitropyrazole
CID 778404
1-(3,4-Dimethoxyphenyl)sulfonylpyrazole
CID 778403
3,4-dimethoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3855267
4-Fluoro-3-methoxy-N-[(2-methylpyrazol-3-YL)methyl]benzenesulfonamide
CID 86818505
N-methyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 132304900
N-(1-methylpyrazol-4-yl)-4-phenoxybenzenesulfonamide
CID 177661558
N-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]-4-(propan-2-yloxy)benzene-1-sulfonamide
CID 75441719
N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 87027324
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22202053

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 56806991) is 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is COc1cc(F)c(S(=O)(=O)N(C)c2cnn(C)c2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ARUKKRXZGOKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4S/c1-16-8-9(7-15-16)17(2)22(18,19)13-6-12(21-4)11(20-3)5-10(13)14/h5-8H,1-4H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 329.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 56806991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).