N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide

C21H26N2O7S — CID 99957286

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C21H26N2O7S/c1-27-18-7-5-16(13-17(18)21(24)23-8-10-30-11-9-23)31(25,26)22-14-15-4-6-19(28-2)20(12-15)29-3/h4-7,12-13,22H,8-11,14H2,1-3H3
InChIKeyXOARYSFEBHPARH-UHFFFAOYSA-N
MW450.51 g/mol
LogP1.66
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 99957286) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID99957286
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C21H26N2O7S/c1-27-18-7-5-16(13-17(18)21(24)23-8-10-30-11-9-23)31(25,26)22-14-15-4-6-19(28-2)20(12-15)29-3/h4-7,12-13,22H,8-11,14H2,1-3H3
InChIKeyXOARYSFEBHPARH-UHFFFAOYSA-N
XLogP1.66
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 53281021
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7510289
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 28633946
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99130763
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46763995
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 99957286) is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is XOARYSFEBHPARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-27-18-7-5-16(13-17(18)21(24)23-8-10-30-11-9-23)31(25,26)22-14-15-4-6-19(28-2)20(12-15)29-3/h4-7,12-13,22H,8-11,14H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 450.51 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 99957286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).