N-ethyl-2,5-dimethoxybenzenesulfonamide

C10H15NO4S — CID 729552

IUPACN-ethyl-2,5-dimethoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C10H15NO4S/c1-4-11-16(12,13)10-7-8(14-2)5-6-9(10)15-3/h5-7,11H,4H2,1-3H3
InChIKeyCNSXACUDJCTBDH-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-2,5-dimethoxybenzenesulfonamide

N-ethyl-2,5-dimethoxybenzenesulfonamide (PubChem CID 729552) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethoxybenzenesulfonamide
PubChem CID729552
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-ethyl-2,5-dimethoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C10H15NO4S/c1-4-11-16(12,13)10-7-8(14-2)5-6-9(10)15-3/h5-7,11H,4H2,1-3H3
InChIKeyCNSXACUDJCTBDH-UHFFFAOYSA-N
XLogP1.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.00
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
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
3-Methoxybenzene-1-sulfonamide
CID 14763060
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
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-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-ethyl-2,5-dimethoxybenzenesulfonamide (CID 729552) is N-ethyl-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-ethyl-2,5-dimethoxybenzenesulfonamide is CCNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-ethyl-2,5-dimethoxybenzenesulfonamide?
The InChIKey is CNSXACUDJCTBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-4-11-16(12,13)10-7-8(14-2)5-6-9(10)15-3/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethoxybenzenesulfonamide?
N-ethyl-2,5-dimethoxybenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 729552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).