[2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate

C23H25ClN2O4S — CID 174536911

IUPAC[2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2cccc(C3CCC(Cl)CC3)c2S(N)(=O)=O)[nH]c2ccccc12
InChIInChI=1S/C23H25ClN2O4S/c1-14(27)30-13-20-18-5-2-3-8-21(18)26-22(20)19-7-4-6-17(23(19)31(25,28)29)15-9-11-16(24)12-10-15/h2-8,15-16,26H,9-13H2,1H3,(H2,25,28,29)
InChIKeyHUKHIHFCRKDXRV-UHFFFAOYSA-N
MW460.98 g/mol
LogP4.81
Rot. Bonds5

About [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate

[2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate (PubChem CID 174536911) has the molecular formula C23H25ClN2O4S and a molecular weight of 460.98 g/mol. Its IUPAC name is [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate.

Molecular Properties

Compound Name[2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate
PubChem CID174536911
Molecular FormulaC23H25ClN2O4S
Molecular Weight460.98 g/mol
Exact Mass460.12
IUPAC Name[2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate
SMILESCC(=O)OCc1c(-c2cccc(C3CCC(Cl)CC3)c2S(N)(=O)=O)[nH]c2ccccc12
InChIInChI=1S/C23H25ClN2O4S/c1-14(27)30-13-20-18-5-2-3-8-21(18)26-22(20)19-7-4-6-17(23(19)31(25,28)29)15-9-11-16(24)12-10-15/h2-8,15-16,26H,9-13H2,1H3,(H2,25,28,29)
InChIKeyHUKHIHFCRKDXRV-UHFFFAOYSA-N
XLogP4.81
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]acetic acid
CID 175253376
2-(5-chloro-7-azatricyclo[4.3.0.07,9]nona-1(6),2,4,8-tetraen-8-yl)-6-(4-chlorocyclohexyl)benzenesulfonamide
CID 174573514
[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate
CID 151813192
methyl 2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-4-oxobutanoate
CID 174551321
[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate
CID 150203480
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 47024255
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
anthracen-9-ylmethyl acetate
CID 27876
[(2S,3R)-2-phenyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]methyl acetate
CID 135035621
(3,6-dichloro-2-oxo-1H-quinolin-4-yl)methyl acetate
CID 121013645
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate?
The IUPAC name of [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate (CID 174536911) is [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate.
What is the SMILES notation for [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate?
The canonical SMILES for [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate is CC(=O)OCc1c(-c2cccc(C3CCC(Cl)CC3)c2S(N)(=O)=O)[nH]c2ccccc12.
What is the InChIKey of [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate?
The InChIKey is HUKHIHFCRKDXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4S/c1-14(27)30-13-20-18-5-2-3-8-21(18)26-22(20)19-7-4-6-17(23(19)31(25,28)29)15-9-11-16(24)12-10-15/h2-8,15-16,26H,9-13H2,1H3,(H2,25,28,29).
What are the key properties of [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate?
[2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate has a molecular weight of 460.98 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chlorocyclohexyl)-2-sulfamoylphenyl]-1H-indol-3-yl]methyl acetate is sourced from PubChem (CID 174536911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).