2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid

C14H16N2O4S — CID 67792983

IUPAC2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid
SMILESCN(C)c1cccc2cc(S(=O)(=O)NCC(=O)O)ccc12
InChIInChI=1S/C14H16N2O4S/c1-16(2)13-5-3-4-10-8-11(6-7-12(10)13)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
InChIKeySWHNPKMDVPZKIM-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.27
Rot. Bonds5

About 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid

2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid (PubChem CID 67792983) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid
PubChem CID67792983
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid
SMILESCN(C)c1cccc2cc(S(=O)(=O)NCC(=O)O)ccc12
InChIInChI=1S/C14H16N2O4S/c1-16(2)13-5-3-4-10-8-11(6-7-12(10)13)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
InChIKeySWHNPKMDVPZKIM-UHFFFAOYSA-N
XLogP1.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide
CID 162639530
2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
CID 14457729
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
methyl 1-[5-(dimethylamino)naphthalen-2-yl]sulfonylaziridine-2-carboxylate
CID 154726937
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
[(4S)-4-[[2-[[(2S)-4-carboxy-2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]butanoyl]amino]acetyl]amino]-5,5-dihydroxyhexyl]-(diaminomethylidene)azanium
CID 5326434
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
1-[methyl(sulfinato)amino]-6-sulfonaphthalene
CID 54388084

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid (CID 67792983) is 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid is CN(C)c1cccc2cc(S(=O)(=O)NCC(=O)O)ccc12.
What is the InChIKey of 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid?
The InChIKey is SWHNPKMDVPZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16(2)13-5-3-4-10-8-11(6-7-12(10)13)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid?
2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid has a molecular weight of 308.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid is sourced from PubChem (CID 67792983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).