N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide

C10H10FN3O2S — CID 54929740

IUPACN-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H10FN3O2S/c1-7-2-3-8(11)4-10(7)14-17(15,16)9-5-12-13-6-9/h2-6,14H,1H3,(H,12,13)
InChIKeyYCCOEBAIUCFVOT-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.66
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide

N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54929740) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54929740
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC NameN-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H10FN3O2S/c1-7-2-3-8(11)4-10(7)14-17(15,16)9-5-12-13-6-9/h2-6,14H,1H3,(H,12,13)
InChIKeyYCCOEBAIUCFVOT-UHFFFAOYSA-N
XLogP1.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 126793474
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 54937391
N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62050435
N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267972
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 54929740) is N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YCCOEBAIUCFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-7-2-3-8(11)4-10(7)14-17(15,16)9-5-12-13-6-9/h2-6,14H,1H3,(H,12,13).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 255.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).