N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide

C16H21N3O3S — CID 86917827

IUPACN-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC2(C#N)CCCCC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H21N3O3S/c1-11-8-13(9-14(12(11)2)23(18,21)22)15(20)19-16(10-17)6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyBUSZEVZFDSFMDS-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.91
Rot. Bonds3

About N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide

N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 86917827) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID86917827
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC2(C#N)CCCCC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H21N3O3S/c1-11-8-13(9-14(12(11)2)23(18,21)22)15(20)19-16(10-17)6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyBUSZEVZFDSFMDS-UHFFFAOYSA-N
XLogP1.91
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide (CID 86917827) is N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)NC2(C#N)CCCCC2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is BUSZEVZFDSFMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-8-13(9-14(12(11)2)23(18,21)22)15(20)19-16(10-17)6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide?
N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 335.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 86917827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).