N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide

C19H22N2O6S — CID 27672633

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1
InChIInChI=1S/C19H22N2O6S/c1-26-14-9-13(10-15(11-14)27-2)19(23)20-17-12-16(5-6-18(17)22)28(24,25)21-7-3-4-8-21/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKeyBXABHQOEASADJO-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.45
Rot. Bonds6

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide (PubChem CID 27672633) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
PubChem CID27672633
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1
InChIInChI=1S/C19H22N2O6S/c1-26-14-9-13(10-15(11-14)27-2)19(23)20-17-12-16(5-6-18(17)22)28(24,25)21-7-3-4-8-21/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKeyBXABHQOEASADJO-UHFFFAOYSA-N
XLogP2.45
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 55820947
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
(2S)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24540294
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 27672665
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide
CID 27672558
1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)thiourea
CID 42993075
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
CID 24543222
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753869

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide (CID 27672633) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is BXABHQOEASADJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-26-14-9-13(10-15(11-14)27-2)19(23)20-17-12-16(5-6-18(17)22)28(24,25)21-7-3-4-8-21/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(H,20,23).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide has a molecular weight of 406.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 27672633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).