2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

C24H22ClF2N3O5S — CID 3365317

IUPAC2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C24H22ClF2N3O5S/c1-34-17-5-2-15(3-6-17)29-36(32,33)23-12-16(4-7-22(23)30-8-10-35-11-9-30)28-24(31)18-13-20(26)21(27)14-19(18)25/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)
InChIKeyQSWXZLGEMIQQIT-UHFFFAOYSA-N
MW537.97 g/mol
LogP4.52
Rot. Bonds7

About 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (PubChem CID 3365317) has the molecular formula C24H22ClF2N3O5S and a molecular weight of 537.97 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
PubChem CID3365317
Molecular FormulaC24H22ClF2N3O5S
Molecular Weight537.97 g/mol
Exact Mass537.09
IUPAC Name2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C24H22ClF2N3O5S/c1-34-17-5-2-15(3-6-17)29-36(32,33)23-12-16(4-7-22(23)30-8-10-35-11-9-30)28-24(31)18-13-20(26)21(27)14-19(18)25/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)
InChIKeyQSWXZLGEMIQQIT-UHFFFAOYSA-N
XLogP4.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.97
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-Fluoro-N-[4-[3-(Trifluoromethyl)phenyl]sulfonyl-3,5-Dihydro-2h-1,4-Benzoxazepin-7-Yl]benzamide
CID 92045115
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
T5247935
CID 5216904
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2-(2-chlorophenyl)-N-[4-[3-(morpholine-4-carbonyl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125301
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-(morpholinomethyl)benzamide
CID 1163593
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136
2-(2-chloro-6-fluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3403874
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide
CID 3407818
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 4010960
4-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4142014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (CID 3365317) is 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The InChIKey is QSWXZLGEMIQQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O5S/c1-34-17-5-2-15(3-6-17)29-36(32,33)23-12-16(4-7-22(23)30-8-10-35-11-9-30)28-24(31)18-13-20(26)21(27)14-19(18)25/h2-7,12-14,29H,8-11H2,1H3,(H,28,31).
What are the key properties of 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide has a molecular weight of 537.97 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 3365317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).