5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid

C17H12BrNO4S — CID 68865312

IUPAC5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H12BrNO4S/c18-12-8-9-15(14(10-12)17(20)21)19-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,19H,(H,20,21)
InChIKeyYGZOIMWVQYETGW-UHFFFAOYSA-N
MW406.26 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid

5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid (PubChem CID 68865312) has the molecular formula C17H12BrNO4S and a molecular weight of 406.26 g/mol. Its IUPAC name is 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
PubChem CID68865312
Molecular FormulaC17H12BrNO4S
Molecular Weight406.26 g/mol
Exact Mass404.97
IUPAC Name5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H12BrNO4S/c18-12-8-9-15(14(10-12)17(20)21)19-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,19H,(H,20,21)
InChIKeyYGZOIMWVQYETGW-UHFFFAOYSA-N
XLogP4.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
2-[2-[2-(naphthalen-1-ylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691994
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
2-(benzylsulfonylamino)-5-bromobenzoic acid
CID 45297744
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330293
5-[(2-acetyl-4-bromophenyl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 75454534
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 10282258
5-bromo-2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)sulfonylamino]benzoic acid
CID 1092380
N-phenylnaphthalene-1-sulfonamide
CID 3816137
6-(naphthalen-1-ylsulfonylamino)-1H-indole-7-carboxylic acid
CID 68865000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid (CID 68865312) is 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid is O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid?
The InChIKey is YGZOIMWVQYETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4S/c18-12-8-9-15(14(10-12)17(20)21)19-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,19H,(H,20,21).
What are the key properties of 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid?
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid has a molecular weight of 406.26 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 68865312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).