4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid

C15H14ClNO6S — CID 15944041

IUPAC4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(OC)cc1Cl
InChIInChI=1S/C15H14ClNO6S/c1-22-12-8-14(13(23-2)7-11(12)16)24(20,21)17-10-5-3-9(4-6-10)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyLFMHGXZVBVXLJM-UHFFFAOYSA-N
MW371.80 g/mol
LogP2.86
Rot. Bonds6

About 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid

4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 15944041) has the molecular formula C15H14ClNO6S and a molecular weight of 371.80 g/mol. Its IUPAC name is 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
PubChem CID15944041
Molecular FormulaC15H14ClNO6S
Molecular Weight371.80 g/mol
Exact Mass371.02
IUPAC Name4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(OC)cc1Cl
InChIInChI=1S/C15H14ClNO6S/c1-22-12-8-14(13(23-2)7-11(12)16)24(20,21)17-10-5-3-9(4-6-10)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyLFMHGXZVBVXLJM-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

4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 15944042
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 99780414
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 1075667
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-[[5-[(E)-2-carboxyethenyl]-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 1118035
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
CID 15944040

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid (CID 15944041) is 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid is COc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(OC)cc1Cl.
What is the InChIKey of 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is LFMHGXZVBVXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO6S/c1-22-12-8-14(13(23-2)7-11(12)16)24(20,21)17-10-5-3-9(4-6-10)15(18)19/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid?
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic 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 4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15944041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).