N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide

C20H22N2O2S — CID 145102979

IUPACN-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide
SMILESCCc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-15-6-8-18(9-7-15)22(17-4-3-5-17)25(23,24)19-10-11-20-16(14-19)12-13-21-20/h6-14,17,21H,2-5H2,1H3
InChIKeyCYTZYPFGPGMXID-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.48
Rot. Bonds5

About N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide

N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide (PubChem CID 145102979) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide
PubChem CID145102979
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide
SMILESCCc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-15-6-8-18(9-7-15)22(17-4-3-5-17)25(23,24)19-10-11-20-16(14-19)12-13-21-20/h6-14,17,21H,2-5H2,1H3
InChIKeyCYTZYPFGPGMXID-UHFFFAOYSA-N
XLogP4.48
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide (CID 145102979) is N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide is CCc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide?
The InChIKey is CYTZYPFGPGMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-15-6-8-18(9-7-15)22(17-4-3-5-17)25(23,24)19-10-11-20-16(14-19)12-13-21-20/h6-14,17,21H,2-5H2,1H3.
What are the key properties of N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide?
N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(4-ethylphenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 145102979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).