6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid

C19H17NO4S — CID 58497045

IUPAC6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESCc1cc(C)cc(S(=O)(=O)Nc2ccc3cc(C(=O)O)ccc3c2)c1
InChIInChI=1S/C19H17NO4S/c1-12-7-13(2)9-18(8-12)25(23,24)20-17-6-5-14-10-16(19(21)22)4-3-15(14)11-17/h3-11,20H,1-2H3,(H,21,22)
InChIKeyHDPXQAHPMZUXMQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.96
Rot. Bonds4

About 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid

6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid (PubChem CID 58497045) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid
PubChem CID58497045
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESCc1cc(C)cc(S(=O)(=O)Nc2ccc3cc(C(=O)O)ccc3c2)c1
InChIInChI=1S/C19H17NO4S/c1-12-7-13(2)9-18(8-12)25(23,24)20-17-6-5-14-10-16(19(21)22)4-3-15(14)11-17/h3-11,20H,1-2H3,(H,21,22)
InChIKeyHDPXQAHPMZUXMQ-UHFFFAOYSA-N
XLogP3.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)sulfonylnaphthalene-2-carboxylic acid
CID 101126034
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
3-[(3,5-dimethylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 50766822
5-[[6-[[6-[(3,5-dicarboxyphenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzene-1,3-dicarboxylic acid
CID 22041806
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
CID 58496720
4-[(4-iodo-3-methylphenyl)sulfonylamino]benzoic acid
CID 71671368
6-[[3-[(6-carboxynaphthalen-2-yl)carbamoyl]-5-sulfobenzoyl]amino]naphthalene-2-carboxylic acid
CID 58716216
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid (CID 58497045) is 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid is Cc1cc(C)cc(S(=O)(=O)Nc2ccc3cc(C(=O)O)ccc3c2)c1.
What is the InChIKey of 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
The InChIKey is HDPXQAHPMZUXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-12-7-13(2)9-18(8-12)25(23,24)20-17-6-5-14-10-16(19(21)22)4-3-15(14)11-17/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid?
6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)sulfonylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 58497045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).