2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate

C14H10Cl2NO4S- — CID 7042035

IUPAC2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
SMILESO=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO4S/c15-11-2-1-3-12(16)14(11)22(20,21)17-10-6-4-9(5-7-10)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
InChIKeyBNGNFYNUGMICCS-UHFFFAOYSA-M
MW359.21 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate

2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate (PubChem CID 7042035) has the molecular formula C14H10Cl2NO4S- and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
PubChem CID7042035
Molecular FormulaC14H10Cl2NO4S-
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC Name2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
SMILESO=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO4S/c15-11-2-1-3-12(16)14(11)22(20,21)17-10-6-4-9(5-7-10)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
InChIKeyBNGNFYNUGMICCS-UHFFFAOYSA-M
XLogP2.09
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]-N-(2-methylphenyl)acetamide
CID 25335507
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 5089316
N-(3-bromophenyl)-1-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetyl]piperidine-4-carboxamide
CID 166353268
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514
cis-(1R,2S)-N-[2-[4-[(2,6-dichlorophenyl)sulfonylamino]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 30893685
3-[4-[(2-chloro-6-nitrophenyl)sulfonylamino]anilino]-3-oxopropanoic acid
CID 167961327
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide
CID 51485408
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
2-(2-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 18159807
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 53352077

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate (CID 7042035) is 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate is O=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate?
The InChIKey is BNGNFYNUGMICCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-11-2-1-3-12(16)14(11)22(20,21)17-10-6-4-9(5-7-10)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1.
What are the key properties of 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate?
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate has a molecular weight of 359.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 7042035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).