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

C18H19ClN2O4S — CID 1379071

IUPAC4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13-3-2-4-15(11-13)20-18(22)14-5-6-16(19)17(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyQXFBNYRJWLNRHC-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.92
Rot. Bonds4

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

4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1379071) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1379071
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13-3-2-4-15(11-13)20-18(22)14-5-6-16(19)17(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyQXFBNYRJWLNRHC-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
4-chloro-N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2710139
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126336444
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1379071) is 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QXFBNYRJWLNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-3-2-4-15(11-13)20-18(22)14-5-6-16(19)17(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1379071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).