3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide

C14H8Cl2F2N2O2S — CID 155009388

IUPAC3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2F2N2O2S/c15-7-1-8(16)3-9(2-7)23(21,22)20-14-6-19-13-5-12(18)11(17)4-10(13)14/h1-6,19-20H
InChIKeyGXHBXWDBMDTPDS-UHFFFAOYSA-N
MW377.20 g/mol
LogP4.55
Rot. Bonds3

About 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide

3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide (PubChem CID 155009388) has the molecular formula C14H8Cl2F2N2O2S and a molecular weight of 377.20 g/mol. Its IUPAC name is 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
PubChem CID155009388
Molecular FormulaC14H8Cl2F2N2O2S
Molecular Weight377.20 g/mol
Exact Mass375.97
IUPAC Name3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2F2N2O2S/c15-7-1-8(16)3-9(2-7)23(21,22)20-14-6-19-13-5-12(18)11(17)4-10(13)14/h1-6,19-20H
InChIKeyGXHBXWDBMDTPDS-UHFFFAOYSA-N
XLogP4.55
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153
N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 154653196
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
3,5-dichloro-N-(3-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59276788
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide
CID 154653155
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
CID 175446361

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide (CID 155009388) is 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide is O=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is GXHBXWDBMDTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2O2S/c15-7-1-8(16)3-9(2-7)23(21,22)20-14-6-19-13-5-12(18)11(17)4-10(13)14/h1-6,19-20H.
What are the key properties of 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide?
3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 377.20 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 155009388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).