4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide

C20H21Cl2N3O3S — CID 164877468

IUPAC4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
SMILESNC1CCC(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cc2)CC1
InChIInChI=1S/C20H21Cl2N3O3S/c21-16-9-10-18(20-19(16)17(22)11-24-20)25-29(26,27)15-7-5-14(6-8-15)28-13-3-1-12(23)2-4-13/h5-13,24-25H,1-4,23H2
InChIKeyHHBGTWYAXPLBMZ-UHFFFAOYSA-N
MW454.38 g/mol
LogP4.92
Rot. Bonds5

About 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide

4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 164877468) has the molecular formula C20H21Cl2N3O3S and a molecular weight of 454.38 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
PubChem CID164877468
Molecular FormulaC20H21Cl2N3O3S
Molecular Weight454.38 g/mol
Exact Mass453.07
IUPAC Name4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
SMILESNC1CCC(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cc2)CC1
InChIInChI=1S/C20H21Cl2N3O3S/c21-16-9-10-18(20-19(16)17(22)11-24-20)25-29(26,27)15-7-5-14(6-8-15)28-13-3-1-12(23)2-4-13/h5-13,24-25H,1-4,23H2
InChIKeyHHBGTWYAXPLBMZ-UHFFFAOYSA-N
XLogP4.92
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
3-(4-amino-4-methylcyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)-2-fluorobenzenesulfonamide
CID 164877895
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
N-(3,4-dichloro-1H-indol-7-yl)-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
CID 164863841
4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide
CID 164863611
N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 164877886
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
CID 164863909
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide (CID 164877468) is 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide is NC1CCC(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cc2)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is HHBGTWYAXPLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3S/c21-16-9-10-18(20-19(16)17(22)11-24-20)25-29(26,27)15-7-5-14(6-8-15)28-13-3-1-12(23)2-4-13/h5-13,24-25H,1-4,23H2.
What are the key properties of 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 454.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 164877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).