4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide

C13H20BrNO3S — CID 3341610

IUPAC4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NC(CC)COC
InChIInChI=1S/C13H20BrNO3S/c1-4-10-8-11(14)6-7-13(10)19(16,17)15-12(5-2)9-18-3/h6-8,12,15H,4-5,9H2,1-3H3
InChIKeyUPKLYZWAEMIODO-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.71
Rot. Bonds7

About 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide

4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 3341610) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID3341610
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NC(CC)COC
InChIInChI=1S/C13H20BrNO3S/c1-4-10-8-11(14)6-7-13(10)19(16,17)15-12(5-2)9-18-3/h6-8,12,15H,4-5,9H2,1-3H3
InChIKeyUPKLYZWAEMIODO-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide (CID 3341610) is 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NC(CC)COC.
What is the InChIKey of 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is UPKLYZWAEMIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-4-10-8-11(14)6-7-13(10)19(16,17)15-12(5-2)9-18-3/h6-8,12,15H,4-5,9H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide?
4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3341610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).