methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate

C14H10Cl3NO4S — CID 40715475

IUPACmethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3NO4S/c1-22-14(19)10-7-9(3-5-11(10)16)18-23(20,21)13-6-8(15)2-4-12(13)17/h2-7,18H,1H3
InChIKeyDIDAXWYSYXBSBB-UHFFFAOYSA-N
MW394.66 g/mol
LogP4.23
Rot. Bonds4

About methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate

methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate (PubChem CID 40715475) has the molecular formula C14H10Cl3NO4S and a molecular weight of 394.66 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
PubChem CID40715475
Molecular FormulaC14H10Cl3NO4S
Molecular Weight394.66 g/mol
Exact Mass392.94
IUPAC Namemethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3NO4S/c1-22-14(19)10-7-9(3-5-11(10)16)18-23(20,21)13-6-8(15)2-4-12(13)17/h2-7,18H,1H3
InChIKeyDIDAXWYSYXBSBB-UHFFFAOYSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 40727014
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
methyl 2-chloro-5-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate
CID 51121376
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate (CID 40715475) is methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate is COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The InChIKey is DIDAXWYSYXBSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO4S/c1-22-14(19)10-7-9(3-5-11(10)16)18-23(20,21)13-6-8(15)2-4-12(13)17/h2-7,18H,1H3.
What are the key properties of methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate has a molecular weight of 394.66 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 40715475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).