4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

C23H22ClN3O6S — CID 2207960

IUPAC4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H22ClN3O6S/c24-19-8-7-16(14-21(19)34(30,31)27-9-12-32-13-10-27)22(28)26-20-6-2-1-5-18(20)23(29)25-15-17-4-3-11-33-17/h1-8,11,14H,9-10,12-13,15H2,(H,25,29)(H,26,28)
InChIKeyXIKWBARQLORQBY-UHFFFAOYSA-N
MW503.96 g/mol
LogP3.14
Rot. Bonds7

About 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2207960) has the molecular formula C23H22ClN3O6S and a molecular weight of 503.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2207960
Molecular FormulaC23H22ClN3O6S
Molecular Weight503.96 g/mol
Exact Mass503.09
IUPAC Name4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H22ClN3O6S/c24-19-8-7-16(14-21(19)34(30,31)27-9-12-32-13-10-27)22(28)26-20-6-2-1-5-18(20)23(29)25-15-17-4-3-11-33-17/h1-8,11,14H,9-10,12-13,15H2,(H,25,29)(H,26,28)
InChIKeyXIKWBARQLORQBY-UHFFFAOYSA-N
XLogP3.14
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.96
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965247
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 100711529
5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 51283905
2-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 1378927
4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 42967013
N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 100774905
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
3-(azepan-1-ylsulfonyl)-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-chlorobenzamide
CID 41032131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 2207960) is 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XIKWBARQLORQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O6S/c24-19-8-7-16(14-21(19)34(30,31)27-9-12-32-13-10-27)22(28)26-20-6-2-1-5-18(20)23(29)25-15-17-4-3-11-33-17/h1-8,11,14H,9-10,12-13,15H2,(H,25,29)(H,26,28).
What are the key properties of 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 503.96 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2207960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).