7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide

C27H21ClN2O3S — CID 174418464

IUPAC7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1Cn1c2cc(-c3ccc(Cl)cc3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C27H21ClN2O3S/c1-34(32,33)25-8-3-2-5-19(25)16-30-23-7-4-6-22(27(29)31)26(23)21-14-11-18(15-24(21)30)17-9-12-20(28)13-10-17/h2-15H,16H2,1H3,(H2,29,31)
InChIKeyPDKRGBNFVLBSLN-UHFFFAOYSA-N
MW489.00 g/mol
LogP5.67
Rot. Bonds5

About 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide

7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174418464) has the molecular formula C27H21ClN2O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174418464
Molecular FormulaC27H21ClN2O3S
Molecular Weight489.00 g/mol
Exact Mass488.10
IUPAC Name7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1Cn1c2cc(-c3ccc(Cl)cc3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C27H21ClN2O3S/c1-34(32,33)25-8-3-2-5-19(25)16-30-23-7-4-6-22(27(29)31)26(23)21-14-11-18(15-24(21)30)17-9-12-20(28)13-10-17/h2-15H,16H2,1H3,(H2,29,31)
InChIKeyPDKRGBNFVLBSLN-UHFFFAOYSA-N
XLogP5.67
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide (CID 174418464) is 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide is CS(=O)(=O)c1ccccc1Cn1c2cc(-c3ccc(Cl)cc3)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is PDKRGBNFVLBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3S/c1-34(32,33)25-8-3-2-5-19(25)16-30-23-7-4-6-22(27(29)31)26(23)21-14-11-18(15-24(21)30)17-9-12-20(28)13-10-17/h2-15H,16H2,1H3,(H2,29,31).
What are the key properties of 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174418464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).