N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide

C14H23NO3S — CID 65112900

IUPACN-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)(O)CC)cc1
InChIInChI=1S/C14H23NO3S/c1-4-6-12-7-9-13(10-8-12)19(17,18)15-11-14(3,16)5-2/h7-10,15-16H,4-6,11H2,1-3H3
InChIKeyOHYFDFLRLWTXSQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds7

About N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide

N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide (PubChem CID 65112900) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
PubChem CID65112900
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)(O)CC)cc1
InChIInChI=1S/C14H23NO3S/c1-4-6-12-7-9-13(10-8-12)19(17,18)15-11-14(3,16)5-2/h7-10,15-16H,4-6,11H2,1-3H3
InChIKeyOHYFDFLRLWTXSQ-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
3-[4-(2,2-dimethylbutylsulfamoyl)phenyl]propanoic acid
CID 103460294
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
N-iodo-4-propylbenzenesulfonamide
CID 143564822
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
CID 18141505

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide (CID 65112900) is N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(C)(O)CC)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide?
The InChIKey is OHYFDFLRLWTXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-6-12-7-9-13(10-8-12)19(17,18)15-11-14(3,16)5-2/h7-10,15-16H,4-6,11H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide?
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 65112900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).