N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide

C21H20N2O4S — CID 46652299

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O4S/c24-20-11-10-16(28(26,27)23-12-3-4-13-23)14-19(20)22-21(25)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14,24H,3-4,12-13H2,(H,22,25)
InChIKeyWMPOSCJVORNPGH-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.58
Rot. Bonds4

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide (PubChem CID 46652299) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
PubChem CID46652299
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O4S/c24-20-11-10-16(28(26,27)23-12-3-4-13-23)14-19(20)22-21(25)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14,24H,3-4,12-13H2,(H,22,25)
InChIKeyWMPOSCJVORNPGH-UHFFFAOYSA-N
XLogP3.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791911
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 15945362
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
2-bromo-4-fluoro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 29265094
2-chloro-N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 29265019
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27672714

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide (CID 46652299) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc2ccccc12.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide?
The InChIKey is WMPOSCJVORNPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-20-11-10-16(28(26,27)23-12-3-4-13-23)14-19(20)22-21(25)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14,24H,3-4,12-13H2,(H,22,25).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 46652299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).