N-butan-2-yl-3,4-dimethoxybenzenesulfonamide

C12H19NO4S — CID 5073030

IUPACN-butan-2-yl-3,4-dimethoxybenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO4S/c1-5-9(2)13-18(14,15)10-6-7-11(16-3)12(8-10)17-4/h6-9,13H,5H2,1-4H3
InChIKeyQXKJFAONGHTPPZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.78
Rot. Bonds6

About N-butan-2-yl-3,4-dimethoxybenzenesulfonamide

N-butan-2-yl-3,4-dimethoxybenzenesulfonamide (PubChem CID 5073030) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-butan-2-yl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3,4-dimethoxybenzenesulfonamide
PubChem CID5073030
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-butan-2-yl-3,4-dimethoxybenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO4S/c1-5-9(2)13-18(14,15)10-6-7-11(16-3)12(8-10)17-4/h6-9,13H,5H2,1-4H3
InChIKeyQXKJFAONGHTPPZ-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-butan-2-yl-3,4-dimethoxybenzenesulfonamide (CID 5073030) is N-butan-2-yl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-3,4-dimethoxybenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-butan-2-yl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is QXKJFAONGHTPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-5-9(2)13-18(14,15)10-6-7-11(16-3)12(8-10)17-4/h6-9,13H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-3,4-dimethoxybenzenesulfonamide?
N-butan-2-yl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 5073030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).