N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide

C14H23NO4S — CID 64913130

IUPACN-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCCC(C)O)cc1
InChIInChI=1S/C14H23NO4S/c1-11(2)10-19-13-4-6-14(7-5-13)20(17,18)15-9-8-12(3)16/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyYGTZSSCRXPJUBL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.77
Rot. Bonds8

About N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide

N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 64913130) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID64913130
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCCC(C)O)cc1
InChIInChI=1S/C14H23NO4S/c1-11(2)10-19-13-4-6-14(7-5-13)20(17,18)15-9-8-12(3)16/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyYGTZSSCRXPJUBL-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64541271
(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 122160835
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide (CID 64913130) is N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NCCC(C)O)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is YGTZSSCRXPJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(2)10-19-13-4-6-14(7-5-13)20(17,18)15-9-8-12(3)16/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 64913130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).