N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide

C13H19N3O3S — CID 119405427

IUPACN-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESNCCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C13H19N3O3S/c14-7-2-8-15-13(17)10-3-1-4-12(9-10)20(18,19)16-11-5-6-11/h1,3-4,9,11,16H,2,5-8,14H2,(H,15,17)
InChIKeyIYFUNYYZTRUCKK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.21
Rot. Bonds7

About N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide

N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 119405427) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
PubChem CID119405427
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESNCCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C13H19N3O3S/c14-7-2-8-15-13(17)10-3-1-4-12(9-10)20(18,19)16-11-5-6-11/h1,3-4,9,11,16H,2,5-8,14H2,(H,15,17)
InChIKeyIYFUNYYZTRUCKK-UHFFFAOYSA-N
XLogP0.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716024
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(3-aminopropylsulfamoyl)-N-(2-methylsulfonylethyl)benzamide
CID 77080072

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide (CID 119405427) is N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide is NCCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is IYFUNYYZTRUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-7-2-8-15-13(17)10-3-1-4-12(9-10)20(18,19)16-11-5-6-11/h1,3-4,9,11,16H,2,5-8,14H2,(H,15,17).
What are the key properties of N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide?
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 119405427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).