3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide

C22H25ClN2O3S — CID 46948020

IUPAC3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21
InChIInChI=1S/C22H25ClN2O3S/c1-22(14-15-7-9-16(23)10-8-15)19-13-18(11-12-20(19)24-21(22)26)29(27,28)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6,14H2,1H3,(H,24,26)
InChIKeySGXJNPNMYOBLQB-UHFFFAOYSA-N
MW432.97 g/mol
LogP4.40
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide

3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 46948020) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID46948020
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC Name3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21
InChIInChI=1S/C22H25ClN2O3S/c1-22(14-15-7-9-16(23)10-8-15)19-13-18(11-12-20(19)24-21(22)26)29(27,28)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6,14H2,1H3,(H,24,26)
InChIKeySGXJNPNMYOBLQB-UHFFFAOYSA-N
XLogP4.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide (CID 46948020) is 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide is CC1(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is SGXJNPNMYOBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-22(14-15-7-9-16(23)10-8-15)19-13-18(11-12-20(19)24-21(22)26)29(27,28)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6,14H2,1H3,(H,24,26).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide?
3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 432.97 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 46948020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).