7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide

C14H20N6O4S — CID 21281464

IUPAC7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N6O4S/c15-20-19-13(21)5-3-1-2-4-10-17-14(22)18-11-6-8-12(9-7-11)25(16,23)24/h6-9H,1-5,10H2,(H2,16,23,24)(H2,17,18,22)
InChIKeyRVIJOMYXLFYZOB-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.24
Rot. Bonds9

About 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide

7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide (PubChem CID 21281464) has the molecular formula C14H20N6O4S and a molecular weight of 368.42 g/mol. Its IUPAC name is 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide.

Molecular Properties

Compound Name7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide
PubChem CID21281464
Molecular FormulaC14H20N6O4S
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N6O4S/c15-20-19-13(21)5-3-1-2-4-10-17-14(22)18-11-6-8-12(9-7-11)25(16,23)24/h6-9H,1-5,10H2,(H2,16,23,24)(H2,17,18,22)
InChIKeyRVIJOMYXLFYZOB-UHFFFAOYSA-N
XLogP2.24
TPSA167.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide 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

2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
CID 102277551
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 125179663
4-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid
CID 10495711
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-decyl-3-(4-sulfamoylphenyl)thiourea
CID 19651236
4-[8-(ethylcarbamoylamino)octylcarbamoylamino]benzenesulfonic acid
CID 163717383
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 160562971

Frequently Asked Questions

What is the IUPAC name of 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide?
The IUPAC name of 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide (CID 21281464) is 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide.
What is the SMILES notation for 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide?
The canonical SMILES for 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide is [N-]=[N+]=NC(=O)CCCCCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide?
The InChIKey is RVIJOMYXLFYZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4S/c15-20-19-13(21)5-3-1-2-4-10-17-14(22)18-11-6-8-12(9-7-11)25(16,23)24/h6-9H,1-5,10H2,(H2,16,23,24)(H2,17,18,22).
What are the key properties of 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide?
7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide has a molecular weight of 368.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide is sourced from PubChem (CID 21281464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).