N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide

C18H23NO6S — CID 46595747

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO6S/c1-22-10-11-25-15-5-7-16(8-6-15)26(20,21)19-13-14-4-9-17(23-2)18(12-14)24-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyKTDQUIXLMIIJRO-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.21
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 46595747) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID46595747
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO6S/c1-22-10-11-25-15-5-7-16(8-6-15)26(20,21)19-13-14-4-9-17(23-2)18(12-14)24-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyKTDQUIXLMIIJRO-UHFFFAOYSA-N
XLogP2.21
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3684547
4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 55639328
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 46595747) is N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is KTDQUIXLMIIJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-22-10-11-25-15-5-7-16(8-6-15)26(20,21)19-13-14-4-9-17(23-2)18(12-14)24-3/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 46595747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).