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

C15H10F3N3O4S — CID 46273380

IUPAC5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C15H10F3N3O4S/c16-15(17,18)9-1-3-10(4-2-9)20-26(24,25)14-8-19-13-6-5-11(21(22)23)7-12(13)14/h1-8,19-20H
InChIKeyZWAKFXLYWKRBBR-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.90
Rot. Bonds4

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

5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide (PubChem CID 46273380) has the molecular formula C15H10F3N3O4S and a molecular weight of 385.32 g/mol. Its IUPAC name is 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
PubChem CID46273380
Molecular FormulaC15H10F3N3O4S
Molecular Weight385.32 g/mol
Exact Mass385.03
IUPAC Name5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C15H10F3N3O4S/c16-15(17,18)9-1-3-10(4-2-9)20-26(24,25)14-8-19-13-6-5-11(21(22)23)7-12(13)14/h1-8,19-20H
InChIKeyZWAKFXLYWKRBBR-UHFFFAOYSA-N
XLogP3.90
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide
CID 46273386
N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide
CID 46273346
N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 171475593
5-amino-N-(4-fluorophenyl)-1H-indole-3-sulfonamide
CID 64853032
N-(4-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4289147
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 141145736
1-nitro-4-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174710355
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide?
The IUPAC name of 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide (CID 46273380) is 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide is O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide?
The InChIKey is ZWAKFXLYWKRBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4S/c16-15(17,18)9-1-3-10(4-2-9)20-26(24,25)14-8-19-13-6-5-11(21(22)23)7-12(13)14/h1-8,19-20H.
What are the key properties of 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide?
5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide has a molecular weight of 385.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 46273380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).