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

C17H18N2O5S — CID 1081958

IUPACN-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N2O5S/c20-15-6-4-14(5-7-15)18-17(21)13-2-1-3-16(12-13)25(22,23)19-8-10-24-11-9-19/h1-7,12,20H,8-11H2,(H,18,21)
InChIKeyQCSKWHZZZJFCJR-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.67
Rot. Bonds4

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

N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1081958) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1081958
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N2O5S/c20-15-6-4-14(5-7-15)18-17(21)13-2-1-3-16(12-13)25(22,23)19-8-10-24-11-9-19/h1-7,12,20H,8-11H2,(H,18,21)
InChIKeyQCSKWHZZZJFCJR-UHFFFAOYSA-N
XLogP1.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[4-(2-cyanopropan-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30857520
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2713360
5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-2-[2-[4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-2-sulfophenyl]ethyl]benzenesulfonic acid
CID 22629046
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1081958) is N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QCSKWHZZZJFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-15-6-4-14(5-7-15)18-17(21)13-2-1-3-16(12-13)25(22,23)19-8-10-24-11-9-19/h1-7,12,20H,8-11H2,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1081958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).