3,4-diethoxybenzenesulfonamide

C10H15NO4S — CID 4962704

IUPAC3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1OCC
InChIInChI=1S/C10H15NO4S/c1-3-14-9-6-5-8(16(11,12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeySRYAXGQHQSSIHQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.13
Rot. Bonds5

About 3,4-diethoxybenzenesulfonamide

3,4-diethoxybenzenesulfonamide (PubChem CID 4962704) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxybenzenesulfonamide
PubChem CID4962704
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1OCC
InChIInChI=1S/C10H15NO4S/c1-3-14-9-6-5-8(16(11,12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeySRYAXGQHQSSIHQ-UHFFFAOYSA-N
XLogP1.13
TPSA78.62 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxybenzenesulfonamide?
The IUPAC name of 3,4-diethoxybenzenesulfonamide (CID 4962704) is 3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for 3,4-diethoxybenzenesulfonamide?
The canonical SMILES for 3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(N)(=O)=O)cc1OCC.
What is the InChIKey of 3,4-diethoxybenzenesulfonamide?
The InChIKey is SRYAXGQHQSSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-3-14-9-6-5-8(16(11,12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 3,4-diethoxybenzenesulfonamide?
3,4-diethoxybenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 4962704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).