2,5-dimethoxy-N-methylbenzenesulfonamide

C9H13NO4S — CID 768903

IUPAC2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C9H13NO4S/c1-10-15(11,12)9-6-7(13-2)4-5-8(9)14-3/h4-6,10H,1-3H3
InChIKeyDBFYCPPMAVPSBV-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.61
Rot. Bonds4

About 2,5-dimethoxy-N-methylbenzenesulfonamide

2,5-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 768903) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2,5-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-methylbenzenesulfonamide
PubChem CID768903
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C9H13NO4S/c1-10-15(11,12)9-6-7(13-2)4-5-8(9)14-3/h4-6,10H,1-3H3
InChIKeyDBFYCPPMAVPSBV-UHFFFAOYSA-N
XLogP0.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
2-(2,5-Dimethoxybenzenesulfonamido)acetic acid
CID 701118
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
3-Methoxybenzene-1-sulfonamide
CID 14763060
2,5-Dimethoxybenzenesulfonyl chloride
CID 137025
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
4-Methoxy-N-methylbenzenesulfonamide
CID 2497429
2,5-Dimethoxythiophenol
CID 519009
2-Methoxybenzene-1-sulfonamide
CID 4739144

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-methylbenzenesulfonamide (CID 768903) is 2,5-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is DBFYCPPMAVPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-10-15(11,12)9-6-7(13-2)4-5-8(9)14-3/h4-6,10H,1-3H3.
What are the key properties of 2,5-dimethoxy-N-methylbenzenesulfonamide?
2,5-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 231.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 768903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).