N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide

C18H20Cl2N4O4S — CID 130417210

IUPACN-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)N1CC2(CCC2NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C1
InChIInChI=1S/C18H20Cl2N4O4S/c1-10(25)22-29(27,28)24-8-18(9-24)6-5-15(18)21-17(26)14-7-11-13(23(14)2)4-3-12(19)16(11)20/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyIMNOHKYOZMWKPO-UHFFFAOYSA-N
MW459.36 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide

N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide (PubChem CID 130417210) has the molecular formula C18H20Cl2N4O4S and a molecular weight of 459.36 g/mol. Its IUPAC name is N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide
PubChem CID130417210
Molecular FormulaC18H20Cl2N4O4S
Molecular Weight459.36 g/mol
Exact Mass458.06
IUPAC NameN-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)N1CC2(CCC2NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C1
InChIInChI=1S/C18H20Cl2N4O4S/c1-10(25)22-29(27,28)24-8-18(9-24)6-5-15(18)21-17(26)14-7-11-13(23(14)2)4-3-12(19)16(11)20/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyIMNOHKYOZMWKPO-UHFFFAOYSA-N
XLogP2.06
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide (CID 130417210) is N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide is CC(=O)NS(=O)(=O)N1CC2(CCC2NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C1.
What is the InChIKey of N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
The InChIKey is IMNOHKYOZMWKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O4S/c1-10(25)22-29(27,28)24-8-18(9-24)6-5-15(18)21-17(26)14-7-11-13(23(14)2)4-3-12(19)16(11)20/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide?
N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide has a molecular weight of 459.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetylsulfamoyl)-2-azaspiro[3.3]heptan-7-yl]-4,5-dichloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 130417210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).