2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid

C14H14N2O5S — CID 14457729

IUPAC2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
SMILESCC(=O)Nc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C14H14N2O5S/c1-9(17)16-12-4-2-11-7-13(5-3-10(11)6-12)22(20,21)15-8-14(18)19/h2-7,15H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyVHJXKJLQRYRSRP-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.16
Rot. Bonds5

About 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid

2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid (PubChem CID 14457729) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
PubChem CID14457729
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
SMILESCC(=O)Nc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C14H14N2O5S/c1-9(17)16-12-4-2-11-7-13(5-3-10(11)6-12)22(20,21)15-8-14(18)19/h2-7,15H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyVHJXKJLQRYRSRP-UHFFFAOYSA-N
XLogP1.16
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride
CID 173199207
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid
CID 67792983
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid
CID 22456332
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 112998145

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid (CID 14457729) is 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid is CC(=O)Nc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1.
What is the InChIKey of 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid?
The InChIKey is VHJXKJLQRYRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-9(17)16-12-4-2-11-7-13(5-3-10(11)6-12)22(20,21)15-8-14(18)19/h2-7,15H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid?
2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid has a molecular weight of 322.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 14457729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).