N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide

C12H19NO3S — CID 18515566

IUPACN-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC)c1ccc(O)cc1
InChIInChI=1S/C12H19NO3S/c1-3-5-10-17(15,16)13(4-2)11-6-8-12(14)9-7-11/h6-9,14H,3-5,10H2,1-2H3
InChIKeyUFVFSOODBVLPJB-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide

N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide (PubChem CID 18515566) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide
PubChem CID18515566
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC NameN-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC)c1ccc(O)cc1
InChIInChI=1S/C12H19NO3S/c1-3-5-10-17(15,16)13(4-2)11-6-8-12(14)9-7-11/h6-9,14H,3-5,10H2,1-2H3
InChIKeyUFVFSOODBVLPJB-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide (CID 18515566) is N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CC)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide?
The InChIKey is UFVFSOODBVLPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-5-10-17(15,16)13(4-2)11-6-8-12(14)9-7-11/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide?
N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide is sourced from PubChem (CID 18515566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).