N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

C19H19ClN2O5S — CID 1101763

IUPACN-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H19ClN2O5S/c1-13(23)14-3-2-4-16(11-14)21-19(24)15-5-6-17(20)18(12-15)28(25,26)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyATCGVDYFJKGFLS-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.82
Rot. Bonds5

About N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1101763) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1101763
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC NameN-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H19ClN2O5S/c1-13(23)14-3-2-4-16(11-14)21-19(24)15-5-6-17(20)18(12-15)28(25,26)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChIKeyATCGVDYFJKGFLS-UHFFFAOYSA-N
XLogP2.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
2,4-dichloro-N-(3-fluorophenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356130
2,4-dichloro-N-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2334818
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
CID 2704881
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-fluoro-1,4-oxazepan-4-yl)sulfonyl]benzamide
CID 118230086
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-methoxy-1,4-oxazepan-4-yl)sulfonyl]benzamide
CID 118230162
2,4-dichloro-N-(4-chloro-3,5-difluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 132191124
2,4-dichloro-N-(3,5-dichloro-4-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 132191134

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (CID 1101763) is N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ATCGVDYFJKGFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-13(23)14-3-2-4-16(11-14)21-19(24)15-5-6-17(20)18(12-15)28(25,26)22-7-9-27-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 422.89 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1101763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).