N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide

C15H16Cl2N4O4S — CID 130408286

IUPACN-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)N1CC(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C1
InChIInChI=1S/C15H16Cl2N4O4S/c1-8(22)19-26(24,25)21-6-9(7-21)18-15(23)13-5-10-12(20(13)2)4-3-11(16)14(10)17/h3-5,9H,6-7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyZGPMUQNUHMAHKN-UHFFFAOYSA-N
MW419.29 g/mol
LogP1.28
Rot. Bonds4

About N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide

N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide (PubChem CID 130408286) has the molecular formula C15H16Cl2N4O4S and a molecular weight of 419.29 g/mol. Its IUPAC name is N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide
PubChem CID130408286
Molecular FormulaC15H16Cl2N4O4S
Molecular Weight419.29 g/mol
Exact Mass418.03
IUPAC NameN-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)N1CC(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C1
InChIInChI=1S/C15H16Cl2N4O4S/c1-8(22)19-26(24,25)21-6-9(7-21)18-15(23)13-5-10-12(20(13)2)4-3-11(16)14(10)17/h3-5,9H,6-7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyZGPMUQNUHMAHKN-UHFFFAOYSA-N
XLogP1.28
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-carbamoylpiperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130416972
N-[(3R,4S)-1-(acetylsulfamoyl)-3-cyanopiperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408454
4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide
CID 130416961
4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 130408441
4,5-dichloro-N-[3-(2-diazoacetyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 145367596
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
N-[1-acetamidosulfanyl-3-(aminomethyl)piperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 145367541
4,5-dichloro-1-methyl-N-[2-(methylcarbamoyl)-2-azaspiro[3.3]heptan-7-yl]indole-2-carboxamide
CID 130416903
4,5-dichloro-N-[(3R,4S)-3-cyano-1-(pyrazin-2-ylsulfamoyl)piperidin-4-yl]-1-methylindole-2-carboxamide
CID 130408413
N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide
CID 161190148
4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1-methylindole-2-carboxamide
CID 121494335

Frequently Asked Questions

What is the IUPAC name of N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
The IUPAC name of N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide (CID 130408286) is N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide is CC(=O)NS(=O)(=O)N1CC(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C1.
What is the InChIKey of N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
The InChIKey is ZGPMUQNUHMAHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O4S/c1-8(22)19-26(24,25)21-6-9(7-21)18-15(23)13-5-10-12(20(13)2)4-3-11(16)14(10)17/h3-5,9H,6-7H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide has a molecular weight of 419.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 130408286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).