N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide

C23H31N5O3S — CID 121284359

IUPACN-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide
SMILESCCN(CC)c1ccc(/N=N/c2ccc(S(N)(=O)=O)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C23H31N5O3S/c1-3-28(4-2)20-13-10-18(11-14-20)26-27-19-12-15-22(32(24,30)31)21(16-19)23(29)25-17-8-6-5-7-9-17/h10-17H,3-9H2,1-2H3,(H,25,29)(H2,24,30,31)/b27-26+
InChIKeyGOQLCAXHDIVTNH-CYYJNZCTSA-N
MW457.60 g/mol
LogP4.66
Rot. Bonds8

About N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide

N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide (PubChem CID 121284359) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide
PubChem CID121284359
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC NameN-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide
SMILESCCN(CC)c1ccc(/N=N/c2ccc(S(N)(=O)=O)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C23H31N5O3S/c1-3-28(4-2)20-13-10-18(11-14-20)26-27-19-12-15-22(32(24,30)31)21(16-19)23(29)25-17-8-6-5-7-9-17/h10-17H,3-9H2,1-2H3,(H,25,29)(H2,24,30,31)/b27-26+
InChIKeyGOQLCAXHDIVTNH-CYYJNZCTSA-N
XLogP4.66
TPSA117.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea
CID 78060683
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
CID 126508892
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
CID 65374860

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide?
The IUPAC name of N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide (CID 121284359) is N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide.
What is the SMILES notation for N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide?
The canonical SMILES for N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide is CCN(CC)c1ccc(/N=N/c2ccc(S(N)(=O)=O)c(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide?
The InChIKey is GOQLCAXHDIVTNH-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-3-28(4-2)20-13-10-18(11-14-20)26-27-19-12-15-22(32(24,30)31)21(16-19)23(29)25-17-8-6-5-7-9-17/h10-17H,3-9H2,1-2H3,(H,25,29)(H2,24,30,31)/b27-26+.
What are the key properties of N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide?
N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[[4-(diethylamino)phenyl]diazenyl]-2-sulfamoylbenzamide is sourced from PubChem (CID 121284359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).