N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide

C18H19NO5S — CID 110426256

IUPACN-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H19NO5S/c20-25(21,19-13-5-10-17-18(11-13)23-12-22-17)16-8-6-15(7-9-16)24-14-3-1-2-4-14/h5-11,14,19H,1-4,12H2
InChIKeyUXSXXDWUMQUGPN-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.54
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide (PubChem CID 110426256) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
PubChem CID110426256
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H19NO5S/c20-25(21,19-13-5-10-17-18(11-13)23-12-22-17)16-8-6-15(7-9-16)24-14-3-1-2-4-14/h5-11,14,19H,1-4,12H2
InChIKeyUXSXXDWUMQUGPN-UHFFFAOYSA-N
XLogP3.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclopentyloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35548290
N-(1,3-benzodioxol-5-yl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757773
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098678
(2S)-2-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
CID 7413187
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide (CID 110426256) is N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide?
The InChIKey is UXSXXDWUMQUGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c20-25(21,19-13-5-10-17-18(11-13)23-12-22-17)16-8-6-15(7-9-16)24-14-3-1-2-4-14/h5-11,14,19H,1-4,12H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide is sourced from PubChem (CID 110426256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).