N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide

C14H12ClN3O6S2 — CID 101117427

IUPACN-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H12ClN3O6S2/c15-9-6-10(12(26(17,23)24)7-11(9)25(16,21)22)18-14(20)13(19)8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,16,21,22)(H2,17,23,24)
InChIKeyNYVCYOVWXLLKGS-UHFFFAOYSA-N
MW417.85 g/mol
LogP0.46
Rot. Bonds5

About N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide

N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide (PubChem CID 101117427) has the molecular formula C14H12ClN3O6S2 and a molecular weight of 417.85 g/mol. Its IUPAC name is N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
PubChem CID101117427
Molecular FormulaC14H12ClN3O6S2
Molecular Weight417.85 g/mol
Exact Mass416.99
IUPAC NameN-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H12ClN3O6S2/c15-9-6-10(12(26(17,23)24)7-11(9)25(16,21)22)18-14(20)13(19)8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,16,21,22)(H2,17,23,24)
InChIKeyNYVCYOVWXLLKGS-UHFFFAOYSA-N
XLogP0.46
TPSA166.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
CID 134098190
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide
CID 168520102
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
benzoic acid;2,4-dichlorobenzenesulfonamide
CID 175086946
3-chloro-4-sulfamoylbenzoic acid
CID 47003139
N-(5-chloro-2,4-disulfamoylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168230
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
[4-[2-(5-chloro-2,4-disulfamoylanilino)-2-oxoethyl]phenyl]methyl nitrate
CID 11952431
benzhydryl 2,4-dichloro-5-sulfamoylbenzoate
CID 30342257

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide?
The IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide (CID 101117427) is N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide?
The canonical SMILES for N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide is NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide?
The InChIKey is NYVCYOVWXLLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O6S2/c15-9-6-10(12(26(17,23)24)7-11(9)25(16,21)22)18-14(20)13(19)8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,16,21,22)(H2,17,23,24).
What are the key properties of N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide?
N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide has a molecular weight of 417.85 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide is sourced from PubChem (CID 101117427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).