4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide

C15H21NO4S — CID 86808029

IUPAC4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1CO)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H21NO4S/c17-10-11-9-15(11)16-21(18,19)14-7-5-13(6-8-14)20-12-3-1-2-4-12/h5-8,11-12,15-17H,1-4,9-10H2
InChIKeyOYMJYDCNDIVMOV-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.67
Rot. Bonds6

About 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide

4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 86808029) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID86808029
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1CO)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H21NO4S/c17-10-11-9-15(11)16-21(18,19)14-7-5-13(6-8-14)20-12-3-1-2-4-12/h5-8,11-12,15-17H,1-4,9-10H2
InChIKeyOYMJYDCNDIVMOV-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 99778846
4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 110642380
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
4-cyclopentyloxybenzenesulfonamide
CID 43164525
4-cyclopentyloxy-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605334
N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
N-[2-[(4-cyclopentyloxyphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053247

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 86808029) is 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1CC1CO)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is OYMJYDCNDIVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-10-11-9-15(11)16-21(18,19)14-7-5-13(6-8-14)20-12-3-1-2-4-12/h5-8,11-12,15-17H,1-4,9-10H2.
What are the key properties of 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 86808029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).