4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide

C19H23ClN4O3S — CID 24650997

IUPAC4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H23ClN4O3S/c20-16-4-2-15(3-5-16)14-23-10-1-11-24(13-12-23)19(25)22-17-6-8-18(9-7-17)28(21,26)27/h2-9H,1,10-14H2,(H,22,25)(H2,21,26,27)
InChIKeyZMSQAFAXQXWATI-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.73
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 24650997) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide
PubChem CID24650997
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H23ClN4O3S/c20-16-4-2-15(3-5-16)14-23-10-1-11-24(13-12-23)19(25)22-17-6-8-18(9-7-17)28(21,26)27/h2-9H,1,10-14H2,(H,22,25)(H2,21,26,27)
InChIKeyZMSQAFAXQXWATI-UHFFFAOYSA-N
XLogP2.73
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide 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

N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 160562971
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
N-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275398
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-chlorophenyl)-4-ethylsulfonyl-1,4-diazepane-1-carboxamide
CID 47812768

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide (CID 24650997) is 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is ZMSQAFAXQXWATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-16-4-2-15(3-5-16)14-23-10-1-11-24(13-12-23)19(25)22-17-6-8-18(9-7-17)28(21,26)27/h2-9H,1,10-14H2,(H,22,25)(H2,21,26,27).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 24650997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).