5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide

C15H10F3N3O5S — CID 46273386

IUPAC5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c2c1
InChIInChI=1S/C15H10F3N3O5S/c16-15(17,18)26-11-4-1-9(2-5-11)20-27(24,25)14-8-19-13-6-3-10(21(22)23)7-12(13)14/h1-8,19-20H
InChIKeyYHDMUVZNTIHWTN-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.78
Rot. Bonds5

About 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide

5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide (PubChem CID 46273386) has the molecular formula C15H10F3N3O5S and a molecular weight of 401.32 g/mol. Its IUPAC name is 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide
PubChem CID46273386
Molecular FormulaC15H10F3N3O5S
Molecular Weight401.32 g/mol
Exact Mass401.03
IUPAC Name5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c2c1
InChIInChI=1S/C15H10F3N3O5S/c16-15(17,18)26-11-4-1-9(2-5-11)20-27(24,25)14-8-19-13-6-3-10(21(22)23)7-12(13)14/h1-8,19-20H
InChIKeyYHDMUVZNTIHWTN-UHFFFAOYSA-N
XLogP3.78
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
CID 46273380
N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide
CID 46273346
2-methoxy-4-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 47062695
4-methyl-3-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 7938995
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
2-[(2E)-2-[(5-bromo-1H-indol-3-yl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 135615844
2-[(2Z)-2-[(5-bromo-1H-indol-3-yl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 136772603
2-ethoxy-4-nitro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169204758
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
2-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-5-nitrobenzenesulfonamide
CID 4310047
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide?
The IUPAC name of 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide (CID 46273386) is 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide is O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c2c1.
What is the InChIKey of 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide?
The InChIKey is YHDMUVZNTIHWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O5S/c16-15(17,18)26-11-4-1-9(2-5-11)20-27(24,25)14-8-19-13-6-3-10(21(22)23)7-12(13)14/h1-8,19-20H.
What are the key properties of 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide?
5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide has a molecular weight of 401.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 46273386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).