2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C11H14N2O3S — CID 93084103

IUPAC2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H14N2O3S/c1-2-10(8-14)13-17(15,16)11-6-4-3-5-9(11)7-12/h3-6,10,13-14H,2,8H2,1H3/t10-/m1/s1
InChIKeyPAKMJGRVBJUEAS-SNVBAGLBSA-N
MW254.31 g/mol
LogP0.61
Rot. Bonds5

About 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 93084103) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID93084103
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H14N2O3S/c1-2-10(8-14)13-17(15,16)11-6-4-3-5-9(11)7-12/h3-6,10,13-14H,2,8H2,1H3/t10-/m1/s1
InChIKeyPAKMJGRVBJUEAS-SNVBAGLBSA-N
XLogP0.61
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 62094388
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43386741
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113317113
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-cyano-3-methyl-N-pentan-3-ylbenzenesulfonamide
CID 86043309
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113010

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 93084103) is 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is PAKMJGRVBJUEAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-10(8-14)13-17(15,16)11-6-4-3-5-9(11)7-12/h3-6,10,13-14H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93084103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).