N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide

C17H24N2O5S — CID 7423397

IUPACN-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCS(=O)(=O)NC1CCCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H24N2O5S/c20-17(13-7-8-15-16(11-13)24-12-23-15)18-9-10-25(21,22)19-14-5-3-1-2-4-6-14/h7-8,11,14,19H,1-6,9-10,12H2,(H,18,20)
InChIKeyIZNAQNVSYQWDJV-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7423397) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7423397
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCS(=O)(=O)NC1CCCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H24N2O5S/c20-17(13-7-8-15-16(11-13)24-12-23-15)18-9-10-25(21,22)19-14-5-3-1-2-4-6-14/h7-8,11,14,19H,1-6,9-10,12H2,(H,18,20)
InChIKeyIZNAQNVSYQWDJV-UHFFFAOYSA-N
XLogP1.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423356
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7619259
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]-1,3-benzodioxole-5-carboxamide
CID 4055032
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 7423397) is N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCS(=O)(=O)NC1CCCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IZNAQNVSYQWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c20-17(13-7-8-15-16(11-13)24-12-23-15)18-9-10-25(21,22)19-14-5-3-1-2-4-6-14/h7-8,11,14,19H,1-6,9-10,12H2,(H,18,20).
What are the key properties of N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7423397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).