6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide

C27H20FN3O5S — CID 66604859

IUPAC6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)NS(=O)(=O)c5ccccc5)cc4c3c2)cc1F
InChIInChI=1S/C27H20FN3O5S/c1-36-24-10-8-15(14-22(24)28)17-12-20-19-11-16(7-9-23(19)30-25(20)21(13-17)26(29)32)27(33)31-37(34,35)18-5-3-2-4-6-18/h2-14,30H,1H3,(H2,29,32)(H,31,33)
InChIKeyXXFCNNCJBSGWOG-UHFFFAOYSA-N
MW517.54 g/mol
LogP4.35
Rot. Bonds6

About 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide

6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide (PubChem CID 66604859) has the molecular formula C27H20FN3O5S and a molecular weight of 517.54 g/mol. Its IUPAC name is 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide
PubChem CID66604859
Molecular FormulaC27H20FN3O5S
Molecular Weight517.54 g/mol
Exact Mass517.11
IUPAC Name6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)NS(=O)(=O)c5ccccc5)cc4c3c2)cc1F
InChIInChI=1S/C27H20FN3O5S/c1-36-24-10-8-15(14-22(24)28)17-12-20-19-11-16(7-9-23(19)30-25(20)21(13-17)26(29)32)27(33)31-37(34,35)18-5-3-2-4-6-18/h2-14,30H,1H3,(H2,29,32)(H,31,33)
InChIKeyXXFCNNCJBSGWOG-UHFFFAOYSA-N
XLogP4.35
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
3-(3-fluoro-4-methoxyphenyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-9H-carbazole-1-carboxamide
CID 66604817
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
CID 25011613
4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
CID 71894451
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
2-(3-fluoro-4-methoxyphenyl)-7-methoxycarbonyl-5H-pyrido[3,2-b]indole-4-carboxylic acid
CID 66605183
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242
N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171617358

Frequently Asked Questions

What is the IUPAC name of 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide?
The IUPAC name of 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide (CID 66604859) is 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide.
What is the SMILES notation for 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide?
The canonical SMILES for 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)NS(=O)(=O)c5ccccc5)cc4c3c2)cc1F.
What is the InChIKey of 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide?
The InChIKey is XXFCNNCJBSGWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O5S/c1-36-24-10-8-15(14-22(24)28)17-12-20-19-11-16(7-9-23(19)30-25(20)21(13-17)26(29)32)27(33)31-37(34,35)18-5-3-2-4-6-18/h2-14,30H,1H3,(H2,29,32)(H,31,33).
What are the key properties of 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide?
6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide has a molecular weight of 517.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide is sourced from PubChem (CID 66604859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).