N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide

C16H19NO5S — CID 2240619

IUPACN-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C16H19NO5S/c1-11-5-7-14(21-3)16(9-11)23(18,19)17-12-6-8-13(20-2)15(10-12)22-4/h5-10,17H,1-4H3
InChIKeyOCBXKQUEFPTLAP-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.82
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 2240619) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID2240619
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C16H19NO5S/c1-11-5-7-14(21-3)16(9-11)23(18,19)17-12-6-8-13(20-2)15(10-12)22-4/h5-10,17H,1-4H3
InChIKeyOCBXKQUEFPTLAP-UHFFFAOYSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 2240619) is N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is OCBXKQUEFPTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-11-5-7-14(21-3)16(9-11)23(18,19)17-12-6-8-13(20-2)15(10-12)22-4/h5-10,17H,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 2240619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).