4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid

C25H18N2O4S — CID 174692531

IUPAC4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc3cc(-c4ccccc4)[nH]c3c2)c2ccccc12
InChIInChI=1S/C25H18N2O4S/c28-25(29)21-12-13-22(20-9-5-4-8-19(20)21)27-32(30,31)18-11-10-17-14-23(26-24(17)15-18)16-6-2-1-3-7-16/h1-15,26-27H,(H,28,29)
InChIKeyZOFKJPUYFDMCQN-UHFFFAOYSA-N
MW442.50 g/mol
LogP5.49
Rot. Bonds5

About 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid

4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid (PubChem CID 174692531) has the molecular formula C25H18N2O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid
PubChem CID174692531
Molecular FormulaC25H18N2O4S
Molecular Weight442.50 g/mol
Exact Mass442.10
IUPAC Name4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc3cc(-c4ccccc4)[nH]c3c2)c2ccccc12
InChIInChI=1S/C25H18N2O4S/c28-25(29)21-12-13-22(20-9-5-4-8-19(20)21)27-32(30,31)18-11-10-17-14-23(26-24(17)15-18)16-6-2-1-3-7-16/h1-15,26-27H,(H,28,29)
InChIKeyZOFKJPUYFDMCQN-UHFFFAOYSA-N
XLogP5.49
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-[2-(1H-indol-2-yl)phenyl]naphthalene-2-sulfonamide
CID 3532370
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
3-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzoic acid
CID 118952599
N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
CID 69471636
(Z)-7-[(1S,2R,3R,4R)-3-[(2-phenyl-1H-indol-6-yl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 10767455
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
5-(benzenesulfonyl)-2-phenyl-1H-indole
CID 21432981
2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
CID 99988698
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid (CID 174692531) is 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc3cc(-c4ccccc4)[nH]c3c2)c2ccccc12.
What is the InChIKey of 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid?
The InChIKey is ZOFKJPUYFDMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4S/c28-25(29)21-12-13-22(20-9-5-4-8-19(20)21)27-32(30,31)18-11-10-17-14-23(26-24(17)15-18)16-6-2-1-3-7-16/h1-15,26-27H,(H,28,29).
What are the key properties of 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid?
4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid has a molecular weight of 442.50 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-1H-indol-6-yl)sulfonylamino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 174692531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).