N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide

C13H21NO3S — CID 103223825

IUPACN-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H21NO3S/c1-4-14(12-6-5-7-13(15)10-12)18(16,17)9-8-11(2)3/h5-7,10-11,15H,4,8-9H2,1-3H3
InChIKeyKTAAEFVEQXIKGN-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide

N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide (PubChem CID 103223825) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
PubChem CID103223825
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H21NO3S/c1-4-14(12-6-5-7-13(15)10-12)18(16,17)9-8-11(2)3/h5-7,10-11,15H,4,8-9H2,1-3H3
InChIKeyKTAAEFVEQXIKGN-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107736591
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
CID 103223804
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
1-[ethyl(2-methoxyethylsulfamoyl)amino]-3-hydroxybenzene
CID 107736611
N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 75388800
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide (CID 103223825) is N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
The InChIKey is KTAAEFVEQXIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-14(12-6-5-7-13(15)10-12)18(16,17)9-8-11(2)3/h5-7,10-11,15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 103223825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).