1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid

C17H13NO4S — CID 23290262

IUPAC1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid
SMILESNC(=O)c1cccc(-c2c(S(=O)(=O)O)ccc3ccccc23)c1
InChIInChI=1S/C17H13NO4S/c18-17(19)13-6-3-5-12(10-13)16-14-7-2-1-4-11(14)8-9-15(16)23(20,21)22/h1-10H,(H2,18,19)(H,20,21,22)
InChIKeyNLBADJMGJACOEG-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid

1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid (PubChem CID 23290262) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid
PubChem CID23290262
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid
SMILESNC(=O)c1cccc(-c2c(S(=O)(=O)O)ccc3ccccc23)c1
InChIInChI=1S/C17H13NO4S/c18-17(19)13-6-3-5-12(10-13)16-14-7-2-1-4-11(14)8-9-15(16)23(20,21)22/h1-10H,(H2,18,19)(H,20,21,22)
InChIKeyNLBADJMGJACOEG-UHFFFAOYSA-N
XLogP2.85
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-carbamoyl-3-methoxyphenyl)naphthalene-2-sulfonic acid
CID 87190724
1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
CID 81432897
3-[2-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide
CID 175644472
9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 142555564
naphthalene-1-sulfonic acid
CID 158712346
disodium bis(2-sulfonaphthalene-1-carboxylate)
CID 162184312
methanamine;naphthalene-1-sulfonic acid
CID 174421353
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
1-chloronaphthalene-2-sulfonic acid
CID 14389107
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid?
The IUPAC name of 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid (CID 23290262) is 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid.
What is the SMILES notation for 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid?
The canonical SMILES for 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid is NC(=O)c1cccc(-c2c(S(=O)(=O)O)ccc3ccccc23)c1.
What is the InChIKey of 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid?
The InChIKey is NLBADJMGJACOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c18-17(19)13-6-3-5-12(10-13)16-14-7-2-1-4-11(14)8-9-15(16)23(20,21)22/h1-10H,(H2,18,19)(H,20,21,22).
What are the key properties of 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid?
1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid has a molecular weight of 327.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylphenyl)naphthalene-2-sulfonic acid is sourced from PubChem (CID 23290262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).