2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid

C20H16ClNO4S — CID 174452526

IUPAC2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid
SMILESC=C(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16ClNO4S/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)12-27(25,26)22-15-9-10-19(21)18(11-15)20(23)24/h2-11,22H,1,12H2,(H,23,24)
InChIKeyALLBOEWEGZGHSB-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.65
Rot. Bonds6

About 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid

2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid (PubChem CID 174452526) has the molecular formula C20H16ClNO4S and a molecular weight of 401.87 g/mol. Its IUPAC name is 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid
PubChem CID174452526
Molecular FormulaC20H16ClNO4S
Molecular Weight401.87 g/mol
Exact Mass401.05
IUPAC Name2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid
SMILESC=C(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16ClNO4S/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)12-27(25,26)22-15-9-10-19(21)18(11-15)20(23)24/h2-11,22H,1,12H2,(H,23,24)
InChIKeyALLBOEWEGZGHSB-UHFFFAOYSA-N
XLogP4.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79673875
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
CID 136537758
2-chloro-5-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 166221992
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-chloro-5-(phthalazin-1-ylamino)benzoic acid
CID 60860552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid (CID 174452526) is 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid is C=C(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid?
The InChIKey is ALLBOEWEGZGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)12-27(25,26)22-15-9-10-19(21)18(11-15)20(23)24/h2-11,22H,1,12H2,(H,23,24).
What are the key properties of 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid?
2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid has a molecular weight of 401.87 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-naphthalen-1-ylprop-2-enylsulfonylamino)benzoic acid is sourced from PubChem (CID 174452526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).