2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid

C15H17NO4S — CID 114533570

IUPAC2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO4S/c1-2-10-16(11-15(17)18)21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyCUTXGPIWWBMLBX-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.33
Rot. Bonds6

About 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid

2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid (PubChem CID 114533570) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
PubChem CID114533570
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO4S/c1-2-10-16(11-15(17)18)21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyCUTXGPIWWBMLBX-UHFFFAOYSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
CID 61007874
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730
2-[3-[3-[carboxymethyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl-methylamino]propyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid;ethane
CID 142835532
2-[(1,2-dimethylindol-3-yl)sulfonyl-propylamino]acetic acid
CID 122071246
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
CID 3927764
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
2-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 114533581

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid?
The IUPAC name of 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid (CID 114533570) is 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid?
The InChIKey is CUTXGPIWWBMLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-2-10-16(11-15(17)18)21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid?
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid has a molecular weight of 307.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid is sourced from PubChem (CID 114533570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).