N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide

C25H22ClN5O4S — CID 70933830

IUPACN-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C25H22ClN5O4S/c26-21-15-18(29-25(32)31-10-12-35-13-11-31)8-9-23(21)36(33,34)30-19-5-3-4-17(14-19)24-20-6-1-2-7-22(20)27-16-28-24/h1-9,14-16,30H,10-13H2,(H,29,32)
InChIKeyPWEWFMGNJGCLFZ-UHFFFAOYSA-N
MW524.00 g/mol
LogP4.62
Rot. Bonds5

About N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide

N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide (PubChem CID 70933830) has the molecular formula C25H22ClN5O4S and a molecular weight of 524.00 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide
PubChem CID70933830
Molecular FormulaC25H22ClN5O4S
Molecular Weight524.00 g/mol
Exact Mass523.11
IUPAC NameN-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C25H22ClN5O4S/c26-21-15-18(29-25(32)31-10-12-35-13-11-31)8-9-23(21)36(33,34)30-19-5-3-4-17(14-19)24-20-6-1-2-7-22(20)27-16-28-24/h1-9,14-16,30H,10-13H2,(H,29,32)
InChIKeyPWEWFMGNJGCLFZ-UHFFFAOYSA-N
XLogP4.62
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
CID 70933812
4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzenesulfonamide
CID 71263613
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
2-chloro-4-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62968868
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
N-[4-(cyclooctylamino)quinazolin-6-yl]morpholine-4-carboxamide;hydrochloride
CID 139938985
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
4-(azepane-1-carbonylamino)-2-chlorobenzenesulfonyl chloride
CID 2756575
N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 163830669

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide (CID 70933830) is N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide?
The InChIKey is PWEWFMGNJGCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4S/c26-21-15-18(29-25(32)31-10-12-35-13-11-31)8-9-23(21)36(33,34)30-19-5-3-4-17(14-19)24-20-6-1-2-7-22(20)27-16-28-24/h1-9,14-16,30H,10-13H2,(H,29,32).
What are the key properties of N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide?
N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide has a molecular weight of 524.00 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)sulfamoyl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 70933830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).