7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride

C17H29Cl2N3O3S — CID 119679881

IUPAC7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCCCN)ccc1Cl.Cl
InChIInChI=1S/C17H28ClN3O3S.ClH/c1-3-21(4-2)25(23,24)16-13-14(10-11-15(16)18)20-17(22)9-7-5-6-8-12-19;/h10-11,13H,3-9,12,19H2,1-2H3,(H,20,22);1H
InChIKeyPSPAEJTVAOJRKO-UHFFFAOYSA-N
MW426.41 g/mol
LogP3.64
Rot. Bonds11

About 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride

7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride (PubChem CID 119679881) has the molecular formula C17H29Cl2N3O3S and a molecular weight of 426.41 g/mol. Its IUPAC name is 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
PubChem CID119679881
Molecular FormulaC17H29Cl2N3O3S
Molecular Weight426.41 g/mol
Exact Mass425.13
IUPAC Name7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCCCN)ccc1Cl.Cl
InChIInChI=1S/C17H28ClN3O3S.ClH/c1-3-21(4-2)25(23,24)16-13-14(10-11-15(16)18)20-17(22)9-7-5-6-8-12-19;/h10-11,13H,3-9,12,19H2,1-2H3,(H,20,22);1H
InChIKeyPSPAEJTVAOJRKO-UHFFFAOYSA-N
XLogP3.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride 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

7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride (CID 119679881) is 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCCCN)ccc1Cl.Cl.
What is the InChIKey of 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride?
The InChIKey is PSPAEJTVAOJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O3S.ClH/c1-3-21(4-2)25(23,24)16-13-14(10-11-15(16)18)20-17(22)9-7-5-6-8-12-19;/h10-11,13H,3-9,12,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride has a molecular weight of 426.41 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119679881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).