7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide

C22H20N2O3S — CID 174401308

IUPAC7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(S(C)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N2O3S/c1-14-9-10-17-20(11-14)24(19-8-4-7-18(21(17)19)22(23)25)13-15-5-3-6-16(12-15)28(2,26)27/h3-12H,13H2,1-2H3,(H2,23,25)
InChIKeyXYIAALLOFYTOIK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.65
Rot. Bonds4

About 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide

7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174401308) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174401308
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(S(C)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N2O3S/c1-14-9-10-17-20(11-14)24(19-8-4-7-18(21(17)19)22(23)25)13-15-5-3-6-16(12-15)28(2,26)27/h3-12H,13H2,1-2H3,(H2,23,25)
InChIKeyXYIAALLOFYTOIK-UHFFFAOYSA-N
XLogP3.65
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401073
9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174414327
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
CID 174639472
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide (CID 174401308) is 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide is Cc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(S(C)(=O)=O)c3)c2c1.
What is the InChIKey of 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is XYIAALLOFYTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-14-9-10-17-20(11-14)24(19-8-4-7-18(21(17)19)22(23)25)13-15-5-3-6-16(12-15)28(2,26)27/h3-12H,13H2,1-2H3,(H2,23,25).
What are the key properties of 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174401308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).