N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide

C18H17ClN2O4S — CID 24954255

IUPACN-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)C#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-13(21(23)14(2)22)3-4-15-5-11-18(12-6-15)26(24,25)20-17-9-7-16(19)8-10-17/h5-13,20,23H,1-2H3
InChIKeySDBODLXXIDBBPX-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.12
Rot. Bonds4

About N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide

N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide (PubChem CID 24954255) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide
PubChem CID24954255
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)C#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-13(21(23)14(2)22)3-4-15-5-11-18(12-6-15)26(24,25)20-17-9-7-16(19)8-10-17/h5-13,20,23H,1-2H3
InChIKeySDBODLXXIDBBPX-UHFFFAOYSA-N
XLogP3.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-hydroxy-3-methylpent-4-ynethioamide
CID 91498344
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
methyl (2S)-2-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516349
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 24615549
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 9410046
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide?
The IUPAC name of N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide (CID 24954255) is N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide?
The canonical SMILES for N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide is CC(=O)N(O)C(C)C#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide?
The InChIKey is SDBODLXXIDBBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-13(21(23)14(2)22)3-4-15-5-11-18(12-6-15)26(24,25)20-17-9-7-16(19)8-10-17/h5-13,20,23H,1-2H3.
What are the key properties of N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide?
N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide has a molecular weight of 392.86 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-chlorophenyl)sulfamoyl]phenyl]but-3-yn-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 24954255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).