1-(methanesulfonamido)naphthalene-2-carboxylic acid

C12H11NO4S — CID 151146757

IUPAC1-(methanesulfonamido)naphthalene-2-carboxylic acid
SMILESCS(=O)(=O)Nc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C12H11NO4S/c1-18(16,17)13-11-9-5-3-2-4-8(9)6-7-10(11)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKeyMXIYKSWKVDJETQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.91
Rot. Bonds3

About 1-(methanesulfonamido)naphthalene-2-carboxylic acid

1-(methanesulfonamido)naphthalene-2-carboxylic acid (PubChem CID 151146757) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(methanesulfonamido)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(methanesulfonamido)naphthalene-2-carboxylic acid
PubChem CID151146757
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name1-(methanesulfonamido)naphthalene-2-carboxylic acid
SMILESCS(=O)(=O)Nc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C12H11NO4S/c1-18(16,17)13-11-9-5-3-2-4-8(9)6-7-10(11)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKeyMXIYKSWKVDJETQ-UHFFFAOYSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
1-formamidonaphthalene-2-carboxylic acid
CID 174958929
2-(methanesulfonamido)-3-methylbenzoic acid
CID 16773117
1-chlorosulfonylnaphthalene-2-carboxylic acid
CID 131505334
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
1-sulfanylnaphthalene-2-carboxylic acid
CID 22336604
1-(1-anilinonaphthalen-2-yl)ethanone
CID 12580778
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846

Frequently Asked Questions

What is the IUPAC name of 1-(methanesulfonamido)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(methanesulfonamido)naphthalene-2-carboxylic acid (CID 151146757) is 1-(methanesulfonamido)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(methanesulfonamido)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(methanesulfonamido)naphthalene-2-carboxylic acid is CS(=O)(=O)Nc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(methanesulfonamido)naphthalene-2-carboxylic acid?
The InChIKey is MXIYKSWKVDJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-18(16,17)13-11-9-5-3-2-4-8(9)6-7-10(11)12(14)15/h2-7,13H,1H3,(H,14,15).
What are the key properties of 1-(methanesulfonamido)naphthalene-2-carboxylic acid?
1-(methanesulfonamido)naphthalene-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methanesulfonamido)naphthalene-2-carboxylic acid is sourced from PubChem (CID 151146757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).