N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide

C18H11ClF2N2O2S2 — CID 135201179

IUPACN-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C18H11ClF2N2O2S2/c19-13-6-15(21)17(7-14(13)20)23-27(24,25)18-8-22-16-5-10(1-2-12(16)18)11-3-4-26-9-11/h1-9,22-23H
InChIKeyNEVNTCZYJYOOQZ-UHFFFAOYSA-N
MW424.88 g/mol
LogP5.63
Rot. Bonds4

About N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide

N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide (PubChem CID 135201179) has the molecular formula C18H11ClF2N2O2S2 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
PubChem CID135201179
Molecular FormulaC18H11ClF2N2O2S2
Molecular Weight424.88 g/mol
Exact Mass423.99
IUPAC NameN-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C18H11ClF2N2O2S2/c19-13-6-15(21)17(7-14(13)20)23-27(24,25)18-8-22-16-5-10(1-2-12(16)18)11-3-4-26-9-11/h1-9,22-23H
InChIKeyNEVNTCZYJYOOQZ-UHFFFAOYSA-N
XLogP5.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 55.63
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-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135188145
6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide
CID 163553285
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
CID 146237430
6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
CID 135201013
6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide?
The IUPAC name of N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide (CID 135201179) is N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2cc(-c3ccsc3)ccc12.
What is the InChIKey of N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide?
The InChIKey is NEVNTCZYJYOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O2S2/c19-13-6-15(21)17(7-14(13)20)23-27(24,25)18-8-22-16-5-10(1-2-12(16)18)11-3-4-26-9-11/h1-9,22-23H.
What are the key properties of N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide?
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide has a molecular weight of 424.88 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).