methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate

C16H12Cl3N3O4S — CID 164863691

IUPACmethyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1Cl
InChIInChI=1S/C16H12Cl3N3O4S/c1-26-16(23)21-12-4-2-8(6-10(12)18)27(24,25)22-13-5-3-9(17)14-11(19)7-20-15(13)14/h2-7,20,22H,1H3,(H,21,23)
InChIKeyGDFKQLVGDQXRRN-UHFFFAOYSA-N
MW448.72 g/mol
LogP5.11
Rot. Bonds4

About methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate

methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate (PubChem CID 164863691) has the molecular formula C16H12Cl3N3O4S and a molecular weight of 448.72 g/mol. Its IUPAC name is methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
PubChem CID164863691
Molecular FormulaC16H12Cl3N3O4S
Molecular Weight448.72 g/mol
Exact Mass446.96
IUPAC Namemethyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1Cl
InChIInChI=1S/C16H12Cl3N3O4S/c1-26-16(23)21-12-4-2-8(6-10(12)18)27(24,25)22-13-5-3-9(17)14-11(19)7-20-15(13)14/h2-7,20,22H,1H3,(H,21,23)
InChIKeyGDFKQLVGDQXRRN-UHFFFAOYSA-N
XLogP5.11
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate 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-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 164877886
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
CID 164863909
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164877468
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-2-fluorobenzoic acid;ethane
CID 164877611

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate (CID 164863691) is methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1Cl.
What is the InChIKey of methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate?
The InChIKey is GDFKQLVGDQXRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O4S/c1-26-16(23)21-12-4-2-8(6-10(12)18)27(24,25)22-13-5-3-9(17)14-11(19)7-20-15(13)14/h2-7,20,22H,1H3,(H,21,23).
What are the key properties of methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate?
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate has a molecular weight of 448.72 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 164863691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).