6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide

C15H10ClF3N2O3S — CID 135188145

IUPAC6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
SMILESCOc1c(Cl)ccc2c(S(=O)(=O)Nc3cc(F)c(F)cc3F)c[nH]c12
InChIInChI=1S/C15H10ClF3N2O3S/c1-24-15-8(16)3-2-7-13(6-20-14(7)15)25(22,23)21-12-5-10(18)9(17)4-11(12)19/h2-6,20-21H,1H3
InChIKeyQGUSVASWSHFPLL-UHFFFAOYSA-N
MW390.77 g/mol
LogP4.05
Rot. Bonds4

About 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide

6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide (PubChem CID 135188145) has the molecular formula C15H10ClF3N2O3S and a molecular weight of 390.77 g/mol. Its IUPAC name is 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
PubChem CID135188145
Molecular FormulaC15H10ClF3N2O3S
Molecular Weight390.77 g/mol
Exact Mass390.01
IUPAC Name6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
SMILESCOc1c(Cl)ccc2c(S(=O)(=O)Nc3cc(F)c(F)cc3F)c[nH]c12
InChIInChI=1S/C15H10ClF3N2O3S/c1-24-15-8(16)3-2-7-13(6-20-14(7)15)25(22,23)21-12-5-10(18)9(17)4-11(12)19/h2-6,20-21H,1H3
InChIKeyQGUSVASWSHFPLL-UHFFFAOYSA-N
XLogP4.05
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide
CID 163553285
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide
CID 135201511
6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide
CID 159754994
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide
CID 135188471
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
CID 135201013
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
CID 135201179
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide (CID 135188145) is 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide is COc1c(Cl)ccc2c(S(=O)(=O)Nc3cc(F)c(F)cc3F)c[nH]c12.
What is the InChIKey of 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
The InChIKey is QGUSVASWSHFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3S/c1-24-15-8(16)3-2-7-13(6-20-14(7)15)25(22,23)21-12-5-10(18)9(17)4-11(12)19/h2-6,20-21H,1H3.
What are the key properties of 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide has a molecular weight of 390.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135188145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).