N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide

C14H23NO3S — CID 104981895

IUPACN-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-13(10-16)15-19(17,18)14-7-5-12(6-8-14)9-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-/m0/s1
InChIKeyZQJIEORUZXVLIH-ZDUSSCGKSA-N
MW285.41 g/mol
LogP1.93
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide

N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 104981895) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID104981895
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-13(10-16)15-19(17,18)14-7-5-12(6-8-14)9-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-/m0/s1
InChIKeyZQJIEORUZXVLIH-ZDUSSCGKSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-(cyanomethyl)-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 103918588
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 22711687
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide (CID 104981895) is N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is ZQJIEORUZXVLIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-13(10-16)15-19(17,18)14-7-5-12(6-8-14)9-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 104981895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).