N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C18H20N2O5S — CID 23904636

IUPACN-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20N2O5S/c1-13-6-7-14(18(22)19-15-4-2-3-5-16(15)21)12-17(13)26(23,24)20-8-10-25-11-9-20/h2-7,12,21H,8-11H2,1H3,(H,19,22)
InChIKeyWFBYOZSSGVSKEC-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.97
Rot. Bonds4

About N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 23904636) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID23904636
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20N2O5S/c1-13-6-7-14(18(22)19-15-4-2-3-5-16(15)21)12-17(13)26(23,24)20-8-10-25-11-9-20/h2-7,12,21H,8-11H2,1H3,(H,19,22)
InChIKeyWFBYOZSSGVSKEC-UHFFFAOYSA-N
XLogP1.97
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 23904636) is N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WFBYOZSSGVSKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-6-7-14(18(22)19-15-4-2-3-5-16(15)21)12-17(13)26(23,24)20-8-10-25-11-9-20/h2-7,12,21H,8-11H2,1H3,(H,19,22).
What are the key properties of N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 23904636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).