N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide

C19H22N4O3S — CID 134037675

IUPACN-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C19H22N4O3S/c1-2-12-21-27(25,26)17-10-6-7-15(14-17)19(24)22-18-11-13-20-23(18)16-8-4-3-5-9-16/h1,6-7,10-11,13-14,16,21H,3-5,8-9,12H2,(H,22,24)
InChIKeyKPOKIXNVMJHYCH-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.55
Rot. Bonds6

About N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide

N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 134037675) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID134037675
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C19H22N4O3S/c1-2-12-21-27(25,26)17-10-6-7-15(14-17)19(24)22-18-11-13-20-23(18)16-8-4-3-5-9-16/h1,6-7,10-11,13-14,16,21H,3-5,8-9,12H2,(H,22,24)
InChIKeyKPOKIXNVMJHYCH-UHFFFAOYSA-N
XLogP2.55
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51312508
3-(prop-2-ynylsulfamoyl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 60576219
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 4794345
N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 134037675) is N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is KPOKIXNVMJHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-12-21-27(25,26)17-10-6-7-15(14-17)19(24)22-18-11-13-20-23(18)16-8-4-3-5-9-16/h1,6-7,10-11,13-14,16,21H,3-5,8-9,12H2,(H,22,24).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 386.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 134037675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).