N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide

C13H21NO3S — CID 95635513

IUPACN-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
SMILESC[C@H](CNS(=O)(=O)Cc1ccccc1)C[C@H](C)O
InChIInChI=1S/C13H21NO3S/c1-11(8-12(2)15)9-14-18(16,17)10-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUGLRQWGLTONROQ-RYUDHWBXSA-N
MW271.38 g/mol
LogP1.51
Rot. Bonds7

About N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide

N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide (PubChem CID 95635513) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
PubChem CID95635513
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
SMILESC[C@H](CNS(=O)(=O)Cc1ccccc1)C[C@H](C)O
InChIInChI=1S/C13H21NO3S/c1-11(8-12(2)15)9-14-18(16,17)10-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUGLRQWGLTONROQ-RYUDHWBXSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide 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

N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499045
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide (CID 95635513) is N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide is C[C@H](CNS(=O)(=O)Cc1ccccc1)C[C@H](C)O.
What is the InChIKey of N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide?
The InChIKey is UGLRQWGLTONROQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(8-12(2)15)9-14-18(16,17)10-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide?
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 95635513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).