N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide

C15H25NO3S — CID 107155364

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCC(O)CC(C)(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-11-6-12(2)8-14(7-11)20(18,19)16-10-13(17)9-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeyZSZWVLLONRBXIQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.38
Rot. Bonds5

About N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 107155364) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
PubChem CID107155364
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCC(O)CC(C)(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-11-6-12(2)8-14(7-11)20(18,19)16-10-13(17)9-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeyZSZWVLLONRBXIQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835521
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835429
3-bromo-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835454
4-(bromomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107155426
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835464
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide (CID 107155364) is N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NCC(O)CC(C)(C)C)c1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is ZSZWVLLONRBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11-6-12(2)8-14(7-11)20(18,19)16-10-13(17)9-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 107155364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).