N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide

C17H24N2O3S — CID 801838

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)23(21,22)19-12-4-5-13-19/h8-11,14H,1-7,12-13H2,(H,18,20)
InChIKeyKEBOSRQCQMXCGD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.99
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide (PubChem CID 801838) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
PubChem CID801838
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)23(21,22)19-12-4-5-13-19/h8-11,14H,1-7,12-13H2,(H,18,20)
InChIKeyKEBOSRQCQMXCGD-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide (CID 801838) is N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The InChIKey is KEBOSRQCQMXCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)23(21,22)19-12-4-5-13-19/h8-11,14H,1-7,12-13H2,(H,18,20).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 801838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).