N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide

C14H23NO3S — CID 103833861

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(CCO)C(C)(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-11-6-5-7-12(10-11)19(17,18)15-13(8-9-16)14(2,3)4/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyDYXLKFBEGHUPOW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.07
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide (PubChem CID 103833861) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
PubChem CID103833861
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(CCO)C(C)(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-11-6-5-7-12(10-11)19(17,18)15-13(8-9-16)14(2,3)4/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyDYXLKFBEGHUPOW-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 106356635
3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103833742
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
3-chloro-4-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833830
4-bromo-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 104919134
2,3,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833824
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide (CID 103833861) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC(CCO)C(C)(C)C)c1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide?
The InChIKey is DYXLKFBEGHUPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11-6-5-7-12(10-11)19(17,18)15-13(8-9-16)14(2,3)4/h5-7,10,13,15-16H,8-9H2,1-4H3.
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 103833861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).