N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide

C14H22N2O4S — CID 103920276

IUPACN-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-12(9-17)15-14(18)11-5-7-13(8-6-11)21(19,20)16-10(2)3/h5-8,10,12,16-17H,4,9H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyNXMDXVQXLSAMJK-GFCCVEGCSA-N
MW314.41 g/mol
LogP0.87
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide

N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 103920276) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID103920276
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-12(9-17)15-14(18)11-5-7-13(8-6-11)21(19,20)16-10(2)3/h5-8,10,12,16-17H,4,9H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyNXMDXVQXLSAMJK-GFCCVEGCSA-N
XLogP0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 65031709
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide (CID 103920276) is N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide is CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is NXMDXVQXLSAMJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-12(9-17)15-14(18)11-5-7-13(8-6-11)21(19,20)16-10(2)3/h5-8,10,12,16-17H,4,9H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 314.41 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 103920276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).