N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide

C15H25NO4S — CID 115755254

IUPACN-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H25NO4S/c1-4-13(9-10-17)16-21(18,19)15-7-5-14(6-8-15)20-11-12(2)3/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyRQYFWEFIXUXDLJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.16
Rot. Bonds9

About N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide

N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 115755254) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID115755254
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H25NO4S/c1-4-13(9-10-17)16-21(18,19)15-7-5-14(6-8-15)20-11-12(2)3/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyRQYFWEFIXUXDLJ-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
(2S)-3-hydroxy-2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 61143433
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 22711687
4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
CID 115755168
N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 97246570
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide (CID 115755254) is N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide is CCC(CCO)NS(=O)(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is RQYFWEFIXUXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-13(9-10-17)16-21(18,19)15-7-5-14(6-8-15)20-11-12(2)3/h5-8,12-13,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 115755254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).