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

C14H8BrClF2N2O2S — CID 135201048

IUPACN-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Br)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H8BrClF2N2O2S/c15-9-4-11(18)13(5-10(9)17)20-23(21,22)14-6-19-12-3-7(16)1-2-8(12)14/h1-6,19-20H
InChIKeyXXRSTRKHKBFLRU-UHFFFAOYSA-N
MW421.65 g/mol
LogP4.66
Rot. Bonds3

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

N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide (PubChem CID 135201048) has the molecular formula C14H8BrClF2N2O2S and a molecular weight of 421.65 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
PubChem CID135201048
Molecular FormulaC14H8BrClF2N2O2S
Molecular Weight421.65 g/mol
Exact Mass419.91
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Br)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H8BrClF2N2O2S/c15-9-4-11(18)13(5-10(9)17)20-23(21,22)14-6-19-12-3-7(16)1-2-8(12)14/h1-6,19-20H
InChIKeyXXRSTRKHKBFLRU-UHFFFAOYSA-N
XLogP4.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.65
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
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
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
CID 146237430
N-(5-bromo-4,7-difluoro-3-methylidenecyclohepta-1,4,6-trien-1-yl)-6-chloro-1H-indole-3-sulfonamide
CID 135201451
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
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
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
CID 135201179
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
2-[3-[(4-bromo-2,5-difluorophenyl)sulfamoyl]-6-chloroindol-1-yl]acetic acid
CID 155428882
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide (CID 135201048) is N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(Br)cc1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide?
The InChIKey is XXRSTRKHKBFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2N2O2S/c15-9-4-11(18)13(5-10(9)17)20-23(21,22)14-6-19-12-3-7(16)1-2-8(12)14/h1-6,19-20H.
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide?
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide has a molecular weight of 421.65 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).