5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide

C21H16BrFN2O2S — CID 66546527

IUPAC5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C21H16BrFN2O2S/c22-18-7-10-20-17(11-18)12-21(25-20)28(26,27)24-13-14-1-3-15(4-2-14)16-5-8-19(23)9-6-16/h1-12,24-25H,13H2
InChIKeyCBVALILBWUFCOW-UHFFFAOYSA-N
MW459.34 g/mol
LogP5.22
Rot. Bonds5

About 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide

5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 66546527) has the molecular formula C21H16BrFN2O2S and a molecular weight of 459.34 g/mol. Its IUPAC name is 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
PubChem CID66546527
Molecular FormulaC21H16BrFN2O2S
Molecular Weight459.34 g/mol
Exact Mass458.01
IUPAC Name5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C21H16BrFN2O2S/c22-18-7-10-20-17(11-18)12-21(25-20)28(26,27)24-13-14-1-3-15(4-2-14)16-5-8-19(23)9-6-16/h1-12,24-25H,13H2
InChIKeyCBVALILBWUFCOW-UHFFFAOYSA-N
XLogP5.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66547073
4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825402
Tryptamine sulfonamide, 37j
CID 24825405
4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide
CID 136998788
4-(3-(4-bromophenyl)-1H-indol-2-yl)benzenesulfonamide
CID 10365186
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)4-methylbenzenesulfonamide
CID 11452858
4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide
CID 12965791
N-((5-bromo-2-methyl-1(phenylsulfonyl)-1H-indol-3-yl)methyl)hydroxylamine
CID 16099870
9-(benzenesulfonyl)-6-bromo-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222549
6-bromo-N,N-dimethyl-9-(4-propan-2-ylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222651
6-bromo-N,N-dimethyl-9-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222652
9-(4-bromophenyl)sulfonyl-6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide (CID 66546527) is 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is CBVALILBWUFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O2S/c22-18-7-10-20-17(11-18)12-21(25-20)28(26,27)24-13-14-1-3-15(4-2-14)16-5-8-19(23)9-6-16/h1-12,24-25H,13H2.
What are the key properties of 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 459.34 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).