N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide

C15H19NO3S — CID 79255723

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO3S/c1-11(2)15(10-17)16-20(18,19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3/t15-/m1/s1
InChIKeySQHSVGLSOLUPBO-OAHLLOKOSA-N
MW293.39 g/mol
LogP2.13
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide (PubChem CID 79255723) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
PubChem CID79255723
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO3S/c1-11(2)15(10-17)16-20(18,19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3/t15-/m1/s1
InChIKeySQHSVGLSOLUPBO-OAHLLOKOSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
CID 121176996
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
3-(dimethylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 71911224
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide (CID 79255723) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is SQHSVGLSOLUPBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(2)15(10-17)16-20(18,19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 79255723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).