N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C19H27FN2O3S — CID 15992460

IUPACN-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3S/c20-16-9-11-18(12-10-16)26(24,25)21-13-14-5-7-15(8-6-14)19(23)22-17-3-1-2-4-17/h9-12,14-15,17,21H,1-8,13H2,(H,22,23)
InChIKeyUFUVZWALNBWHOG-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.97
Rot. Bonds6

About N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 15992460) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID15992460
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3S/c20-16-9-11-18(12-10-16)26(24,25)21-13-14-5-7-15(8-6-14)19(23)22-17-3-1-2-4-17/h9-12,14-15,17,21H,1-8,13H2,(H,22,23)
InChIKeyUFUVZWALNBWHOG-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 15992460) is N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is O=C(NC1CCCC1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is UFUVZWALNBWHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c20-16-9-11-18(12-10-16)26(24,25)21-13-14-5-7-15(8-6-14)19(23)22-17-3-1-2-4-17/h9-12,14-15,17,21H,1-8,13H2,(H,22,23).
What are the key properties of N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15992460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).