N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C21H35F3N2O3S — CID 171400587

IUPACN-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)C1CCCC(NC(=O)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C21H35F3N2O3S/c1-26(18-10-3-2-4-11-18)30(28,29)19-12-6-9-17(14-19)25-20(27)15-7-5-8-16(13-15)21(22,23)24/h15-19H,2-14H2,1H3,(H,25,27)
InChIKeyQQTPXUOWIAGWOA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.38
Rot. Bonds5

About N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 171400587) has the molecular formula C21H35F3N2O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID171400587
Molecular FormulaC21H35F3N2O3S
Molecular Weight452.58 g/mol
Exact Mass452.23
IUPAC NameN-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)C1CCCC(NC(=O)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C21H35F3N2O3S/c1-26(18-10-3-2-4-11-18)30(28,29)19-12-6-9-17(14-19)25-20(27)15-7-5-8-16(13-15)21(22,23)24/h15-19H,2-14H2,1H3,(H,25,27)
InChIKeyQQTPXUOWIAGWOA-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 171400587) is N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(C1CCCCC1)S(=O)(=O)C1CCCC(NC(=O)C2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QQTPXUOWIAGWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F3N2O3S/c1-26(18-10-3-2-4-11-18)30(28,29)19-12-6-9-17(14-19)25-20(27)15-7-5-8-16(13-15)21(22,23)24/h15-19H,2-14H2,1H3,(H,25,27).
What are the key properties of N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 171400587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).