4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

C20H26N2O3S — CID 110616043

IUPAC4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESCc1cc(OC2CCCC2)ccc1S(=O)(=O)NCCCc1cccnc1
InChIInChI=1S/C20H26N2O3S/c1-16-14-19(25-18-8-2-3-9-18)10-11-20(16)26(23,24)22-13-5-7-17-6-4-12-21-15-17/h4,6,10-12,14-15,18,22H,2-3,5,7-9,13H2,1H3
InChIKeyVOUPHVUVFWLXBK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.62
Rot. Bonds8

About 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (PubChem CID 110616043) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
PubChem CID110616043
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESCc1cc(OC2CCCC2)ccc1S(=O)(=O)NCCCc1cccnc1
InChIInChI=1S/C20H26N2O3S/c1-16-14-19(25-18-8-2-3-9-18)10-11-20(16)26(23,24)22-13-5-7-17-6-4-12-21-15-17/h4,6,10-12,14-15,18,22H,2-3,5,7-9,13H2,1H3
InChIKeyVOUPHVUVFWLXBK-UHFFFAOYSA-N
XLogP3.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
CID 110607154
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
CID 110293800
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
4-cyclopentyloxy-N-(1,1-dioxothiolan-3-yl)-2-methylbenzenesulfonamide
CID 110300905

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (CID 110616043) is 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is Cc1cc(OC2CCCC2)ccc1S(=O)(=O)NCCCc1cccnc1.
What is the InChIKey of 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The InChIKey is VOUPHVUVFWLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-14-19(25-18-8-2-3-9-18)10-11-20(16)26(23,24)22-13-5-7-17-6-4-12-21-15-17/h4,6,10-12,14-15,18,22H,2-3,5,7-9,13H2,1H3.
What are the key properties of 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110616043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).