N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide

C23H21ClN2O4S — CID 4877854

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O4S/c24-21-11-10-20(16-22(21)31(28,29)26-12-14-30-15-13-26)25-23(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,25,27)
InChIKeyQBYJPHBPUFGTHV-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.28
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide (PubChem CID 4877854) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
PubChem CID4877854
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O4S/c24-21-11-10-20(16-22(21)31(28,29)26-12-14-30-15-13-26)25-23(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,25,27)
InChIKeyQBYJPHBPUFGTHV-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 27007356
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
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4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
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4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
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4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126356549
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide (CID 4877854) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide?
The InChIKey is QBYJPHBPUFGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c24-21-11-10-20(16-22(21)31(28,29)26-12-14-30-15-13-26)25-23(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,25,27).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide has a molecular weight of 456.95 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide is sourced from PubChem (CID 4877854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).