4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

C18H14FNO5S — CID 134158372

IUPAC4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc12
InChIInChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)
InChIKeyPRQVEVLBUCMWDD-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.49
Rot. Bonds5

About 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid (PubChem CID 134158372) has the molecular formula C18H14FNO5S and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
PubChem CID134158372
Molecular FormulaC18H14FNO5S
Molecular Weight375.38 g/mol
Exact Mass375.06
IUPAC Name4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc12
InChIInChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)
InChIKeyPRQVEVLBUCMWDD-UHFFFAOYSA-N
XLogP3.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 134158371
2-Fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 134158373
2-Hydroxy-5-[(1-naphthylsulfonyl)amino]benzoic acid
CID 962573
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
4-[[4-(3,5-Dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480788
1-Hydroxy-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]naphthalene-2-carboxylic acid
CID 126480822
1-Hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
CID 126480874
2,4-Difluoro-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 145980569
4-Chloro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 145981654
3-[3-[(4-Methoxynaphthalen-1-yl)sulfonylamino]phenyl]propanoic acid
CID 145982036
2-[3-[(4-Methoxynaphthalen-1-yl)sulfonylamino]phenyl]acetic acid
CID 145988577
3-Chloro-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 145992166

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid (CID 134158372) is 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid is COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc12.
What is the InChIKey of 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
The InChIKey is PRQVEVLBUCMWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22).
What are the key properties of 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid has a molecular weight of 375.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 134158372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).