[2-(benzenesulfonamido)-4-chlorophenyl] acetate

C14H12ClNO4S — CID 51700783

IUPAC[2-(benzenesulfonamido)-4-chlorophenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c1-10(17)20-14-8-7-11(15)9-13(14)16-21(18,19)12-5-3-2-4-6-12/h2-9,16H,1H3
InChIKeyTYNGOXBJQAOIGG-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.07
Rot. Bonds4

About [2-(benzenesulfonamido)-4-chlorophenyl] acetate

[2-(benzenesulfonamido)-4-chlorophenyl] acetate (PubChem CID 51700783) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-4-chlorophenyl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-4-chlorophenyl] acetate
PubChem CID51700783
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name[2-(benzenesulfonamido)-4-chlorophenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c1-10(17)20-14-8-7-11(15)9-13(14)16-21(18,19)12-5-3-2-4-6-12/h2-9,16H,1H3
InChIKeyTYNGOXBJQAOIGG-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
methyl (E)-3-[2-(benzenesulfonamido)-4-chlorophenyl]prop-2-enoate
CID 11371593
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-4-chlorophenyl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-4-chlorophenyl] acetate (CID 51700783) is [2-(benzenesulfonamido)-4-chlorophenyl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-4-chlorophenyl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-4-chlorophenyl] acetate is CC(=O)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonamido)-4-chlorophenyl] acetate?
The InChIKey is TYNGOXBJQAOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-10(17)20-14-8-7-11(15)9-13(14)16-21(18,19)12-5-3-2-4-6-12/h2-9,16H,1H3.
What are the key properties of [2-(benzenesulfonamido)-4-chlorophenyl] acetate?
[2-(benzenesulfonamido)-4-chlorophenyl] acetate has a molecular weight of 325.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-4-chlorophenyl] acetate is sourced from PubChem (CID 51700783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).