N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide

C20H19Cl2N3O3S — CID 59334894

IUPACN-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide
SMILESCN(C(=O)c1cn(C)c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12)C1CC1
InChIInChI=1S/C20H19Cl2N3O3S/c1-24-11-18(20(26)25(2)15-4-5-15)17-6-3-14(10-19(17)24)23-29(27,28)16-8-12(21)7-13(22)9-16/h3,6-11,15,23H,4-5H2,1-2H3
InChIKeyVBOGEAIXLWGTDS-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.52
Rot. Bonds5

About N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide

N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide (PubChem CID 59334894) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide
PubChem CID59334894
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC NameN-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide
SMILESCN(C(=O)c1cn(C)c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12)C1CC1
InChIInChI=1S/C20H19Cl2N3O3S/c1-24-11-18(20(26)25(2)15-4-5-15)17-6-3-14(10-19(17)24)23-29(27,28)16-8-12(21)7-13(22)9-16/h3,6-11,15,23H,4-5H2,1-2H3
InChIKeyVBOGEAIXLWGTDS-UHFFFAOYSA-N
XLogP4.52
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-6-[(3,5-dichlorophenyl)sulfonylamino]indole-1-carboxylate
CID 59335054
6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindazole-3-carboxamide
CID 59335153
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
tert-butyl 6-[(3,5-dichlorophenyl)sulfonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]indole-1-carboxylate
CID 59335028
N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
CID 169371827
3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide
CID 68991946
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 32916652

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide (CID 59334894) is N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide is CN(C(=O)c1cn(C)c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide?
The InChIKey is VBOGEAIXLWGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-24-11-18(20(26)25(2)15-4-5-15)17-6-3-14(10-19(17)24)23-29(27,28)16-8-12(21)7-13(22)9-16/h3,6-11,15,23H,4-5H2,1-2H3.
What are the key properties of N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide?
N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide has a molecular weight of 452.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 59334894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).