2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid

C15H14ClNO6S — CID 1239991

IUPAC2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)cc1OC
InChIInChI=1S/C15H14ClNO6S/c1-22-13-7-11(15(18)19)12(8-14(13)23-2)17-24(20,21)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeySZOHZVRLCDOYMM-UHFFFAOYSA-N
MW371.80 g/mol
LogP2.86
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid

2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid (PubChem CID 1239991) has the molecular formula C15H14ClNO6S and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
PubChem CID1239991
Molecular FormulaC15H14ClNO6S
Molecular Weight371.80 g/mol
Exact Mass371.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)cc1OC
InChIInChI=1S/C15H14ClNO6S/c1-22-13-7-11(15(18)19)12(8-14(13)23-2)17-24(20,21)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeySZOHZVRLCDOYMM-UHFFFAOYSA-N
XLogP2.86
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(4-Fluorophenyl)sulfonyl]amino}-4,5-dimethoxybenzoic acid
CID 1239984
2-(4-Ethoxybenzenesulfonamido)-4,5-dimethoxybenzoic acid
CID 2082583
3-(6-Acetyl-benzo[1,3]dioxol-5-ylsulfamoyl)-benzoic acid
CID 1448336
Methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2808744
Methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 2808749
2-[(4-Chloro-3-sulfamoylbenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 164611892
4,5-Dimethoxy-2-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 164627133
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4,5-dimethoxybenzoic acid
CID 17478954
2-[(5-Ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 47062778
Methyl 2-(ethenylsulfonylamino)-4,5-dimethoxybenzoate
CID 178316955
2-[(4-Acetamidophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 2808978
2-[(4-Chloro-2,5-dimethylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 2809004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid (CID 1239991) is 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid is COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The InChIKey is SZOHZVRLCDOYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO6S/c1-22-13-7-11(15(18)19)12(8-14(13)23-2)17-24(20,21)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid has a molecular weight of 371.80 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 1239991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).