2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid

C16H13NO4S3 — CID 46908671

IUPAC2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid
SMILESO=C(O)CSc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C16H13NO4S3/c18-15(19)10-23-14-8-7-13(11-4-1-2-5-12(11)14)17-24(20,21)16-6-3-9-22-16/h1-9,17H,10H2,(H,18,19)
InChIKeyYHFFQGNJFRJYSR-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.88
Rot. Bonds6

About 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid

2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid (PubChem CID 46908671) has the molecular formula C16H13NO4S3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid
PubChem CID46908671
Molecular FormulaC16H13NO4S3
Molecular Weight379.48 g/mol
Exact Mass379.00
IUPAC Name2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid
SMILESO=C(O)CSc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C16H13NO4S3/c18-15(19)10-23-14-8-7-13(11-4-1-2-5-12(11)14)17-24(20,21)16-6-3-9-22-16/h1-9,17H,10H2,(H,18,19)
InChIKeyYHFFQGNJFRJYSR-UHFFFAOYSA-N
XLogP3.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-naphthyl)-2-thiophenesulfonamide
CID 736201
5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 164612292
2-Thiophenesulfonamide, N-2-naphthalenyl-
CID 765862
N-(benzenesulfonyl)-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 155936795
N-methylsulfonyl-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 164678083
5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
CID 164612293
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 1091832
2-(4-Aminonaphthalen-1-ylthio)acetic acid
CID 46908670
2-(4-Aminonaphthalen-1-yl)sulfonylethyl hydrogen carbonate
CID 66645680
4-Thiophen-2-ylsulfonylnaphthalen-1-amine
CID 68517696
1-(4-Aminonaphthalen-1-yl)sulfonylethyl hydrogen carbonate
CID 68776863
(2R)-2-amino-3-(4-aminonaphthalen-1-yl)sulfonylpropanoic acid
CID 68928733

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid (CID 46908671) is 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid is O=C(O)CSc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12.
What is the InChIKey of 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid?
The InChIKey is YHFFQGNJFRJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S3/c18-15(19)10-23-14-8-7-13(11-4-1-2-5-12(11)14)17-24(20,21)16-6-3-9-22-16/h1-9,17H,10H2,(H,18,19).
What are the key properties of 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid?
2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid has a molecular weight of 379.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylsulfonylamino)naphthalen-1-yl]sulfanylacetic acid is sourced from PubChem (CID 46908671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).