6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

C24H23ClN2O3S — CID 137399843

IUPAC6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccc(Cl)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C24H23ClN2O3S/c1-3-27-22-11-7-17(13-20(22)21-14-18(25)8-12-23(21)27)24(28)26-15-16-5-9-19(10-6-16)31(29,30)4-2/h5-14H,3-4,15H2,1-2H3,(H,26,28)
InChIKeySLCRVKJIPHMXMQ-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.19
Rot. Bonds6

About 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (PubChem CID 137399843) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
PubChem CID137399843
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccc(Cl)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C24H23ClN2O3S/c1-3-27-22-11-7-17(13-20(22)21-14-18(25)8-12-23(21)27)24(28)26-15-16-5-9-19(10-6-16)31(29,30)4-2/h5-14H,3-4,15H2,1-2H3,(H,26,28)
InChIKeySLCRVKJIPHMXMQ-UHFFFAOYSA-N
XLogP5.19
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The IUPAC name of 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (CID 137399843) is 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.
What is the SMILES notation for 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The canonical SMILES for 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is CCn1c2ccc(Cl)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.
What is the InChIKey of 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The InChIKey is SLCRVKJIPHMXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-3-27-22-11-7-17(13-20(22)21-14-18(25)8-12-23(21)27)24(28)26-15-16-5-9-19(10-6-16)31(29,30)4-2/h5-14H,3-4,15H2,1-2H3,(H,26,28).
What are the key properties of 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide has a molecular weight of 454.98 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is sourced from PubChem (CID 137399843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).