N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide

C13H19Cl2N3O3S — CID 119498614

IUPACN-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
SMILESCC(N)CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2N3O3S/c1-9(16)5-7-17-12(19)6-8-18-22(20,21)13-10(14)3-2-4-11(13)15/h2-4,9,18H,5-8,16H2,1H3,(H,17,19)
InChIKeyGIKBGYBRKCBAEV-UHFFFAOYSA-N
MW368.29 g/mol
LogP1.52
Rot. Bonds8

About N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide

N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide (PubChem CID 119498614) has the molecular formula C13H19Cl2N3O3S and a molecular weight of 368.29 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
PubChem CID119498614
Molecular FormulaC13H19Cl2N3O3S
Molecular Weight368.29 g/mol
Exact Mass367.05
IUPAC NameN-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
SMILESCC(N)CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2N3O3S/c1-9(16)5-7-17-12(19)6-8-18-22(20,21)13-10(14)3-2-4-11(13)15/h2-4,9,18H,5-8,16H2,1H3,(H,17,19)
InChIKeyGIKBGYBRKCBAEV-UHFFFAOYSA-N
XLogP1.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119499470
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414
3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide
CID 51120099
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119616695
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
CID 119346190

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide (CID 119498614) is N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide is CC(N)CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
The InChIKey is GIKBGYBRKCBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O3S/c1-9(16)5-7-17-12(19)6-8-18-22(20,21)13-10(14)3-2-4-11(13)15/h2-4,9,18H,5-8,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide?
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide has a molecular weight of 368.29 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119498614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).