2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride

C10H10FN3O4S2 — CID 116814332

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H10FN3O4S2/c1-7-10(6-12-13-7)20(17,18)14-8-4-2-3-5-9(8)19(11,15)16/h2-6,14H,1H3,(H,12,13)
InChIKeyMODBNJKZIXCRQC-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.18
Rot. Bonds4

About 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride

2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride (PubChem CID 116814332) has the molecular formula C10H10FN3O4S2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
PubChem CID116814332
Molecular FormulaC10H10FN3O4S2
Molecular Weight319.34 g/mol
Exact Mass319.01
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H10FN3O4S2/c1-7-10(6-12-13-7)20(17,18)14-8-4-2-3-5-9(8)19(11,15)16/h2-6,14H,1H3,(H,12,13)
InChIKeyMODBNJKZIXCRQC-UHFFFAOYSA-N
XLogP1.18
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353
N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 83167318

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride (CID 116814332) is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride is Cc1[nH]ncc1S(=O)(=O)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
The InChIKey is MODBNJKZIXCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4S2/c1-7-10(6-12-13-7)20(17,18)14-8-4-2-3-5-9(8)19(11,15)16/h2-6,14H,1H3,(H,12,13).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride?
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride has a molecular weight of 319.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).