4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide

C13H15Cl2N3O2S — CID 56807006

IUPAC4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESN#CCCN(CC1CC1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2S/c14-11-6-10(7-12(15)13(11)17)21(19,20)18(5-1-4-16)8-9-2-3-9/h6-7,9H,1-3,5,8,17H2
InChIKeyNCLZPLOAYFUHHL-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.89
Rot. Bonds6

About 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide

4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 56807006) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID56807006
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESN#CCCN(CC1CC1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2S/c14-11-6-10(7-12(15)13(11)17)21(19,20)18(5-1-4-16)8-9-2-3-9/h6-7,9H,1-3,5,8,17H2
InChIKeyNCLZPLOAYFUHHL-UHFFFAOYSA-N
XLogP2.89
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide (CID 56807006) is 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide is N#CCCN(CC1CC1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is NCLZPLOAYFUHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c14-11-6-10(7-12(15)13(11)17)21(19,20)18(5-1-4-16)8-9-2-3-9/h6-7,9H,1-3,5,8,17H2.
What are the key properties of 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-cyanoethyl)-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 56807006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).