5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide

C21H16F2N2O2S — CID 46375065

IUPAC5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C21H16F2N2O2S/c1-13-5-6-17(23)12-21(13)28(26,27)25-18-4-2-3-14(10-18)20-11-15-9-16(22)7-8-19(15)24-20/h2-12,24-25H,1H3
InChIKeyWVRRRHSQOYVUCA-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.22
Rot. Bonds4

About 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide

5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 46375065) has the molecular formula C21H16F2N2O2S and a molecular weight of 398.43 g/mol. Its IUPAC name is 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
PubChem CID46375065
Molecular FormulaC21H16F2N2O2S
Molecular Weight398.43 g/mol
Exact Mass398.09
IUPAC Name5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C21H16F2N2O2S/c1-13-5-6-17(23)12-21(13)28(26,27)25-18-4-2-3-14(10-18)20-11-15-9-16(22)7-8-19(15)24-20/h2-12,24-25H,1H3
InChIKeyWVRRRHSQOYVUCA-UHFFFAOYSA-N
XLogP5.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.22
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-acetyl-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 46375056
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
CID 46375026
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide (CID 46375065) is 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is WVRRRHSQOYVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2S/c1-13-5-6-17(23)12-21(13)28(26,27)25-18-4-2-3-14(10-18)20-11-15-9-16(22)7-8-19(15)24-20/h2-12,24-25H,1H3.
What are the key properties of 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 398.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 46375065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).