N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide

C14H23NO3S — CID 14438223

IUPACN-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(C)C)[C@@H](C)CO)cc1
InChIInChI=1S/C14H23NO3S/c1-10(2)14(12(4)9-16)15-19(17,18)13-7-5-11(3)6-8-13/h5-8,10,12,14-16H,9H2,1-4H3/t12-,14-/m0/s1
InChIKeyVLRRTQDHJZRXKT-JSGCOSHPSA-N
MW285.41 g/mol
LogP1.93
Rot. Bonds6

About N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide

N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide (PubChem CID 14438223) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide
PubChem CID14438223
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(C)C)[C@@H](C)CO)cc1
InChIInChI=1S/C14H23NO3S/c1-10(2)14(12(4)9-16)15-19(17,18)13-7-5-11(3)6-8-13/h5-8,10,12,14-16H,9H2,1-4H3/t12-,14-/m0/s1
InChIKeyVLRRTQDHJZRXKT-JSGCOSHPSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
p-Toluenesulfonamide, N-isobutyl-
CID 101310
N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
Tosyl valine
CID 2249310
N-(1-Hydroxymethyl-2-methylsulfanyl-ethyl)-4-methyl-benzenesulfonamide
CID 4681731
p-Toluenesulfonamide, N-sec-butyl-
CID 211876
(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
4-methyl-N-(propan-2-yl)benzene-1-sulfonamide
CID 4329528
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-methylbenzenesulfonamide
CID 650352
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 10084784

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide (CID 14438223) is N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C(C)C)[C@@H](C)CO)cc1.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is VLRRTQDHJZRXKT-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)14(12(4)9-16)15-19(17,18)13-7-5-11(3)6-8-13/h5-8,10,12,14-16H,9H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide?
N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-2,4-dimethylpentan-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 14438223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).