4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C18H15FN4O2S — CID 126574687

IUPAC4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H15FN4O2S/c1-23-18(8-9-21-23)22-26(24,25)14-5-2-12(3-6-14)16-11-20-17-10-13(19)4-7-15(16)17/h2-11,20,22H,1H3
InChIKeyVVVAFAHCEMVGEF-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.51
Rot. Bonds4

About 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide

4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 126574687) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID126574687
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H15FN4O2S/c1-23-18(8-9-21-23)22-26(24,25)14-5-2-12(3-6-14)16-11-20-17-10-13(19)4-7-15(16)17/h2-11,20,22H,1H3
InChIKeyVVVAFAHCEMVGEF-UHFFFAOYSA-N
XLogP3.51
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 9866143
US9156811, Ddd73332
CID 57400517
N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide
CID 66548849
(3R)-5-(6-fluoro-1H-indol-3-yl)-3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122551145
N-(N-(2-(1H-indol-3-yl)ethyl)carbamimidoyl)-4-fluorobenzenesulfonamide
CID 7197263
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 118721254
4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide
CID 147928416
1-(2,5-difluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 7197248
4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide
CID 72202561
US10544095, Example 80
CID 126574623
3-[2-(3-fluoro-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-methyl-3-phenylpropan-1-amine
CID 162773044
2-[2-(3-fluoro-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-methyl-2-phenylethanamine
CID 166627455

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 126574687) is 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is VVVAFAHCEMVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-23-18(8-9-21-23)22-26(24,25)14-5-2-12(3-6-14)16-11-20-17-10-13(19)4-7-15(16)17/h2-11,20,22H,1H3.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 370.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 126574687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).