4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide

C18H23NO6S — CID 30328089

IUPAC4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H23NO6S/c1-19(26(20,21)15-9-7-14(22-2)8-10-15)12-13-6-11-16(23-3)18(25-5)17(13)24-4/h6-11H,12H2,1-5H3
InChIKeyRRSJIFCMXINKQY-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.54
Rot. Bonds8

About 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide

4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 30328089) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID30328089
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC Name4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H23NO6S/c1-19(26(20,21)15-9-7-14(22-2)8-10-15)12-13-6-11-16(23-3)18(25-5)17(13)24-4/h6-11H,12H2,1-5H3
InChIKeyRRSJIFCMXINKQY-UHFFFAOYSA-N
XLogP2.54
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 30329873
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 23608395
4-methoxy-N-methyl-N-[(2-methyl-3-nitrophenyl)methyl]benzenesulfonamide
CID 60523296
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide
CID 8797806
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide (CID 30328089) is 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is RRSJIFCMXINKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-19(26(20,21)15-9-7-14(22-2)8-10-15)12-13-6-11-16(23-3)18(25-5)17(13)24-4/h6-11H,12H2,1-5H3.
What are the key properties of 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30328089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).