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

C17H26ClN3O3S — CID 12698199

IUPACN-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1
InChIInChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyWVNMCWQJUJCKNS-UHFFFAOYSA-N
MW387.93 g/mol
LogP3.26
Rot. Bonds7

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

N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide (PubChem CID 12698199) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
PubChem CID12698199
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1
InChIInChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyWVNMCWQJUJCKNS-UHFFFAOYSA-N
XLogP3.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide?
The IUPAC name of N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide (CID 12698199) is N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide?
The canonical SMILES for N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide is CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCC1.
What is the InChIKey of N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide?
The InChIKey is WVNMCWQJUJCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide?
N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide has a molecular weight of 387.93 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide is sourced from PubChem (CID 12698199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).