4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide

C19H25NO5S — CID 3684547

IUPAC4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H25NO5S/c1-4-5-12-25-16-6-9-18(10-7-16)26(21,22)20-14-15-13-17(23-2)8-11-19(15)24-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyMAVPJESSVVVYBT-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.36
Rot. Bonds10

About 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide

4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 3684547) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID3684547
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H25NO5S/c1-4-5-12-25-16-6-9-18(10-7-16)26(21,22)20-14-15-13-17(23-2)8-11-19(15)24-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyMAVPJESSVVVYBT-UHFFFAOYSA-N
XLogP3.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
4-butoxy-N-[(5-chloro-2-methylphenyl)methyl]benzenesulfonamide
CID 3729940
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
4-(3-chloro-2-cyanophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3868728
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935436
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide (CID 3684547) is 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NCc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MAVPJESSVVVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-4-5-12-25-16-6-9-18(10-7-16)26(21,22)20-14-15-13-17(23-2)8-11-19(15)24-3/h6-11,13,20H,4-5,12,14H2,1-3H3.
What are the key properties of 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3684547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).