4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C16H24ClN3O4S — CID 126507592

IUPAC4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1
InChIInChI=1S/C16H24ClN3O4S/c1-24-8-7-19-16(21)12-9-15(25(18,22)23)13(17)10-14(12)20-11-5-3-2-4-6-11/h9-11,20H,2-8H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyNKYZAALBVOKIMZ-UHFFFAOYSA-N
MW389.91 g/mol
LogP2.11
Rot. Bonds7

About 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide

4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 126507592) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID126507592
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1
InChIInChI=1S/C16H24ClN3O4S/c1-24-8-7-19-16(21)12-9-15(25(18,22)23)13(17)10-14(12)20-11-5-3-2-4-6-11/h9-11,20H,2-8H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyNKYZAALBVOKIMZ-UHFFFAOYSA-N
XLogP2.11
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 126507592) is 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is NKYZAALBVOKIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-24-8-7-19-16(21)12-9-15(25(18,22)23)13(17)10-14(12)20-11-5-3-2-4-6-11/h9-11,20H,2-8H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 389.91 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126507592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).