1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H17FN4O3S — CID 10157806

IUPAC1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(F)cc1)CC2
InChIInChI=1S/C19H17FN4O3S/c1-28(26,27)23-13-6-2-11-3-9-15-17(19(21)25)22-24(18(15)16(11)10-13)14-7-4-12(20)5-8-14/h2,4-8,10,23H,3,9H2,1H3,(H2,21,25)
InChIKeyOESMCAIMPHOWES-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10157806) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10157806
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(F)cc1)CC2
InChIInChI=1S/C19H17FN4O3S/c1-28(26,27)23-13-6-2-11-3-9-15-17(19(21)25)22-24(18(15)16(11)10-13)14-7-4-12(20)5-8-14/h2,4-8,10,23H,3,9H2,1H3,(H2,21,25)
InChIKeyOESMCAIMPHOWES-UHFFFAOYSA-N
XLogP2.25
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10157806) is 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide is CS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is OESMCAIMPHOWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-28(26,27)23-13-6-2-11-3-9-15-17(19(21)25)22-24(18(15)16(11)10-13)14-7-4-12(20)5-8-14/h2,4-8,10,23H,3,9H2,1H3,(H2,21,25).
What are the key properties of 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10157806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).