3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid

C17H17NO4S — CID 3872315

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C17H17NO4S/c19-17(20)13-7-3-8-14(11-13)23(21,22)18-16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16,18H,4,6,10H2,(H,19,20)
InChIKeyYNMDTZTUYCWFAX-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.74
Rot. Bonds4

About 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid

3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid (PubChem CID 3872315) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
PubChem CID3872315
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C17H17NO4S/c19-17(20)13-7-3-8-14(11-13)23(21,22)18-16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16,18H,4,6,10H2,(H,19,20)
InChIKeyYNMDTZTUYCWFAX-UHFFFAOYSA-N
XLogP2.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid (CID 3872315) is 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
The InChIKey is YNMDTZTUYCWFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-17(20)13-7-3-8-14(11-13)23(21,22)18-16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16,18H,4,6,10H2,(H,19,20).
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid has a molecular weight of 331.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 3872315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).