5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid

C14H11F2NO5S — CID 56812265

IUPAC5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1C(=O)O
InChIInChI=1S/C14H11F2NO5S/c1-22-13-5-3-9(7-10(13)14(18)19)23(20,21)17-12-6-8(15)2-4-11(12)16/h2-7,17H,1H3,(H,18,19)
InChIKeyRTJXMIFSCRXCLI-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.47
Rot. Bonds5

About 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid

5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 56812265) has the molecular formula C14H11F2NO5S and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID56812265
Molecular FormulaC14H11F2NO5S
Molecular Weight343.31 g/mol
Exact Mass343.03
IUPAC Name5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1C(=O)O
InChIInChI=1S/C14H11F2NO5S/c1-22-13-5-3-9(7-10(13)14(18)19)23(20,21)17-12-6-8(15)2-4-11(12)16/h2-7,17H,1H3,(H,18,19)
InChIKeyRTJXMIFSCRXCLI-UHFFFAOYSA-N
XLogP2.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
2-[3-[(2,5-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060124
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514301
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid (CID 56812265) is 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1C(=O)O.
What is the InChIKey of 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is RTJXMIFSCRXCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO5S/c1-22-13-5-3-9(7-10(13)14(18)19)23(20,21)17-12-6-8(15)2-4-11(12)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid?
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 343.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 56812265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).