N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide

C15H23NO4S — CID 106173679

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)(CC)CCO)c1
InChIInChI=1S/C15H23NO4S/c1-4-14(18)12-7-6-8-13(11-12)21(19,20)16-15(3,5-2)9-10-17/h6-8,11,16-17H,4-5,9-10H2,1-3H3
InChIKeyIGFKWVVQAJQWRZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.11
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide

N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide (PubChem CID 106173679) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
PubChem CID106173679
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)(CC)CCO)c1
InChIInChI=1S/C15H23NO4S/c1-4-14(18)12-7-6-8-13(11-12)21(19,20)16-15(3,5-2)9-10-17/h6-8,11,16-17H,4-5,9-10H2,1-3H3
InChIKeyIGFKWVVQAJQWRZ-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-3-propanoylbenzenesulfonamide
CID 103836509
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568
N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106169656
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide (CID 106173679) is N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC(C)(CC)CCO)c1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is IGFKWVVQAJQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-14(18)12-7-6-8-13(11-12)21(19,20)16-15(3,5-2)9-10-17/h6-8,11,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 106173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).