N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane

C26H29ClN2O4S — CID 90942429

IUPACN-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
SMILESCC.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H23ClN2O4S.C2H6/c25-20-8-11-23(22(16-20)24(28)19-4-2-1-3-5-19)26-32(29,30)21-9-6-18(7-10-21)17-27-12-14-31-15-13-27;1-2/h1-11,16,26H,12-15,17H2;1-2H3
InChIKeyFUUJOSHSQXVOHA-UHFFFAOYSA-N
MW501.05 g/mol
LogP5.23
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane

N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane (PubChem CID 90942429) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
PubChem CID90942429
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
SMILESCC.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H23ClN2O4S.C2H6/c25-20-8-11-23(22(16-20)24(28)19-4-2-1-3-5-19)26-32(29,30)21-9-6-18(7-10-21)17-27-12-14-31-15-13-27;1-2/h1-11,16,26H,12-15,17H2;1-2H3
InChIKeyFUUJOSHSQXVOHA-UHFFFAOYSA-N
XLogP5.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92646826
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871
N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-3-fluoro-4-morpholin-4-ylbenzenesulfonamide
CID 24831315
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane (CID 90942429) is N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane is CC.O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane?
The InChIKey is FUUJOSHSQXVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S.C2H6/c25-20-8-11-23(22(16-20)24(28)19-4-2-1-3-5-19)26-32(29,30)21-9-6-18(7-10-21)17-27-12-14-31-15-13-27;1-2/h1-11,16,26H,12-15,17H2;1-2H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane?
N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane has a molecular weight of 501.05 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane is sourced from PubChem (CID 90942429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).