N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C15H8ClF6N3O2S — CID 2780299

IUPACN-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2n[nH]c(Cl)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF6N3O2S/c16-13-11-6-9(1-2-12(11)23-24-13)25-28(26,27)10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,25H,(H,23,24)
InChIKeyGRGGGWAQBJFQCE-UHFFFAOYSA-N
MW443.76 g/mol
LogP5.05
Rot. Bonds3

About N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 2780299) has the molecular formula C15H8ClF6N3O2S and a molecular weight of 443.76 g/mol. Its IUPAC name is N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID2780299
Molecular FormulaC15H8ClF6N3O2S
Molecular Weight443.76 g/mol
Exact Mass442.99
IUPAC NameN-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2n[nH]c(Cl)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF6N3O2S/c16-13-11-6-9(1-2-12(11)23-24-13)25-28(26,27)10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,25H,(H,23,24)
InChIKeyGRGGGWAQBJFQCE-UHFFFAOYSA-N
XLogP5.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
CID 3781466
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
N-(3,4-dichlorophenyl)-3-methyl-2H-indazole-5-sulfonamide
CID 22567293
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3508970
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2819593

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 2780299) is N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2n[nH]c(Cl)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is GRGGGWAQBJFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6N3O2S/c16-13-11-6-9(1-2-12(11)23-24-13)25-28(26,27)10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,25H,(H,23,24).
What are the key properties of N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 443.76 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2780299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).