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

C17H17NO4S — CID 3238300

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO4S/c19-17(20)13-8-10-14(11-9-13)23(21,22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,18H,3,5,7H2,(H,19,20)
InChIKeyFDQKXUFUPFNOMU-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.74
Rot. Bonds4

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

4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid (PubChem CID 3238300) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
PubChem CID3238300
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO4S/c19-17(20)13-8-10-14(11-9-13)23(21,22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,18H,3,5,7H2,(H,19,20)
InChIKeyFDQKXUFUPFNOMU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dibenzylsulfamoyl)benzoic Acid
CID 4552362
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
5-[(3,3-Diphenylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 2555967
4-(Naphthalene-2-sulfonamidomethyl)benzoic acid
CID 2577221
4-(Cyclohexylmethyl-sulfamoyl)-benzoic acid
CID 18524305
4-(Cyclohexylsulfamoyl)benzoic acid
CID 229357
4-((4-Tert-butylbenzenesulfonamido)methyl)benzoic acid
CID 773537
4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid
CID 863775
4-[Cyclohexyl-(4-fluoro-benzyl)-sulfamoyl]-benzoic acid
CID 1169529
3-[(2-Phenylethyl)sulfamoyl]benzoic acid
CID 2473940
3-[(3,3-Diphenylpropyl)sulfamoyl]benzoic acid
CID 2555971
4-(Cycloheptylsulfamoyl)benzoic acid
CID 23604688

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid (CID 3238300) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
The InChIKey is FDQKXUFUPFNOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-17(20)13-8-10-14(11-9-13)23(21,22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,18H,3,5,7H2,(H,19,20).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid?
4-(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 4-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 3238300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).