4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide

C18H10ClF4N3O2S — CID 21467526

IUPAC4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3ccc4c(Cl)c(F)ccc4c32)cc1
InChIInChI=1S/C18H10ClF4N3O2S/c19-15-11-5-6-13-16(12(11)7-8-14(15)20)26(25-17(13)18(21,22)23)9-1-3-10(4-2-9)29(24,27)28/h1-8H,(H2,24,27,28)
InChIKeySDHRODMSVUNQLQ-UHFFFAOYSA-N
MW443.81 g/mol
LogP4.64
Rot. Bonds2

About 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide

4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide (PubChem CID 21467526) has the molecular formula C18H10ClF4N3O2S and a molecular weight of 443.81 g/mol. Its IUPAC name is 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide
PubChem CID21467526
Molecular FormulaC18H10ClF4N3O2S
Molecular Weight443.81 g/mol
Exact Mass443.01
IUPAC Name4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3ccc4c(Cl)c(F)ccc4c32)cc1
InChIInChI=1S/C18H10ClF4N3O2S/c19-15-11-5-6-13-16(12(11)7-8-14(15)20)26(25-17(13)18(21,22)23)9-1-3-10(4-2-9)29(24,27)28/h1-8H,(H2,24,27,28)
InChIKeySDHRODMSVUNQLQ-UHFFFAOYSA-N
XLogP4.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.81
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-Naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10112661
4-(3-Trifluoromethyl-4,5-dihydro-benzo[g]indazol-1-yl)-benzenesulfonamide
CID 15293126
4-[5-[4-(4-Chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10344982
4-[5-Naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 49783892
4-[5-[4-(2,3-Dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10414044
4-[5-[4-(3,5-Dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10481501
4-[5-(2-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10136628
4-[4,5-Dihydro-7-methyl-3-(trifluoromethyl)-1h-benz[g]indazol-1-yl]benzenesulfonamide
CID 12082820
4-[5-(3-Chloro-4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 18677778
7-Fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole
CID 21467445
4-[6-Chloro-7-methylsulfinyl-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide
CID 21467452
6-Chloro-3-(difluoromethyl)-7-fluoro-1-(4-methylsulfonylphenyl)benzo[g]indazole
CID 21467453

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide (CID 21467526) is 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3ccc4c(Cl)c(F)ccc4c32)cc1.
What is the InChIKey of 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide?
The InChIKey is SDHRODMSVUNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF4N3O2S/c19-15-11-5-6-13-16(12(11)7-8-14(15)20)26(25-17(13)18(21,22)23)9-1-3-10(4-2-9)29(24,27)28/h1-8H,(H2,24,27,28).
What are the key properties of 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide?
4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide has a molecular weight of 443.81 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-7-fluoro-3-(trifluoromethyl)benzo[g]indazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 21467526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).