4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide

C18H21Cl2N3O4S — CID 130416961

IUPAC4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(C(=O)NS(C)(=O)=O)CC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C18H21Cl2N3O4S/c1-23-14-8-7-13(19)16(20)12(14)9-15(23)18(25)21-11-5-3-10(4-6-11)17(24)22-28(2,26)27/h7-11H,3-6H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPFEWZOWXNHJIKL-UHFFFAOYSA-N
MW446.36 g/mol
LogP2.85
Rot. Bonds4

About 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide

4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide (PubChem CID 130416961) has the molecular formula C18H21Cl2N3O4S and a molecular weight of 446.36 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide
PubChem CID130416961
Molecular FormulaC18H21Cl2N3O4S
Molecular Weight446.36 g/mol
Exact Mass445.06
IUPAC Name4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(C(=O)NS(C)(=O)=O)CC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C18H21Cl2N3O4S/c1-23-14-8-7-13(19)16(20)12(14)9-15(23)18(25)21-11-5-3-10(4-6-11)17(24)22-28(2,26)27/h7-11H,3-6H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPFEWZOWXNHJIKL-UHFFFAOYSA-N
XLogP2.85
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 130408441
N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408286
4,5-dichloro-N-[3-(2-diazoacetyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 145367596
N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130417210
N-[(3R,4S)-1-(acetylsulfamoyl)-3-cyanopiperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408454
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
4,5-dichloro-1-methyl-N-[2-(methylcarbamoyl)-2-azaspiro[3.3]heptan-7-yl]indole-2-carboxamide
CID 130416903
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
methyl 2-[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]piperidin-3-yl]acetate
CID 130408370
4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1-methylindole-2-carboxamide
CID 121494335
N-[1-acetamidosulfanyl-3-(aminomethyl)piperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 145367541
N-cyclopropyl-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 46395663

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide (CID 130416961) is 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide is Cn1c(C(=O)NC2CCC(C(=O)NS(C)(=O)=O)CC2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide?
The InChIKey is PFEWZOWXNHJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4S/c1-23-14-8-7-13(19)16(20)12(14)9-15(23)18(25)21-11-5-3-10(4-6-11)17(24)22-28(2,26)27/h7-11H,3-6H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide?
4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide has a molecular weight of 446.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide is sourced from PubChem (CID 130416961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).