N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide

C21H25N3O7S2 — CID 27672653

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O7S2/c25-20-8-7-18(33(29,30)23-9-1-2-10-23)15-19(20)22-21(26)16-3-5-17(6-4-16)32(27,28)24-11-13-31-14-12-24/h3-8,15,25H,1-2,9-14H2,(H,22,26)
InChIKeyIOMOUFKXGMWOQS-UHFFFAOYSA-N
MW495.58 g/mol
LogP1.45
Rot. Bonds6

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 27672653) has the molecular formula C21H25N3O7S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID27672653
Molecular FormulaC21H25N3O7S2
Molecular Weight495.58 g/mol
Exact Mass495.11
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O7S2/c25-20-8-7-18(33(29,30)23-9-1-2-10-23)15-19(20)22-21(26)16-3-5-17(6-4-16)32(27,28)24-11-13-31-14-12-24/h3-8,15,25H,1-2,9-14H2,(H,22,26)
InChIKeyIOMOUFKXGMWOQS-UHFFFAOYSA-N
XLogP1.45
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 27672665
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 35979257
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide
CID 27672558
7-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 29265060
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 27672653) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IOMOUFKXGMWOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S2/c25-20-8-7-18(33(29,30)23-9-1-2-10-23)15-19(20)22-21(26)16-3-5-17(6-4-16)32(27,28)24-11-13-31-14-12-24/h3-8,15,25H,1-2,9-14H2,(H,22,26).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 495.58 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 27672653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).