4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide

C20H14F2N2O2S — CID 46331701

IUPAC4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O2S/c21-15-3-8-18(9-4-15)27(25,26)24-17-6-1-13(2-7-17)20-12-14-11-16(22)5-10-19(14)23-20/h1-12,23-24H
InChIKeyZHQVLOMDCRTLAL-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.91
Rot. Bonds4

About 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide (PubChem CID 46331701) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
PubChem CID46331701
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Name4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O2S/c21-15-3-8-18(9-4-15)27(25,26)24-17-6-1-13(2-7-17)20-12-14-11-16(22)5-10-19(14)23-20/h1-12,23-24H
InChIKeyZHQVLOMDCRTLAL-UHFFFAOYSA-N
XLogP4.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 46375065
N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 46331654
N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46331649
1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381066
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
CID 110428026
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide (CID 46331701) is 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is ZHQVLOMDCRTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c21-15-3-8-18(9-4-15)27(25,26)24-17-6-1-13(2-7-17)20-12-14-11-16(22)5-10-19(14)23-20/h1-12,23-24H.
What are the key properties of 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46331701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).