5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide

C13H20BrNO4S — CID 115755202

IUPAC5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(CC)CCO
InChIInChI=1S/C13H20BrNO4S/c1-3-11(7-8-16)15-20(17,18)13-9-10(14)5-6-12(13)19-4-2/h5-6,9,11,15-16H,3-4,7-8H2,1-2H3
InChIKeyNVSAFUPOLVJFJZ-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.29
Rot. Bonds8

About 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide

5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide (PubChem CID 115755202) has the molecular formula C13H20BrNO4S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
PubChem CID115755202
Molecular FormulaC13H20BrNO4S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(CC)CCO
InChIInChI=1S/C13H20BrNO4S/c1-3-11(7-8-16)15-20(17,18)13-9-10(14)5-6-12(13)19-4-2/h5-6,9,11,15-16H,3-4,7-8H2,1-2H3
InChIKeyNVSAFUPOLVJFJZ-UHFFFAOYSA-N
XLogP2.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
5-bromo-2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103912575
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
CID 115755260
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide (CID 115755202) is 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC(CC)CCO.
What is the InChIKey of 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
The InChIKey is NVSAFUPOLVJFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4S/c1-3-11(7-8-16)15-20(17,18)13-9-10(14)5-6-12(13)19-4-2/h5-6,9,11,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide has a molecular weight of 366.28 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 115755202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).