N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide

C19H22N2O4S — CID 1077896

IUPACN-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-11-15(2)13-17(12-14)20-19(22)16-3-5-18(6-4-16)26(23,24)21-7-9-25-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)
InChIKeyQGWIDJRRDFUNHW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 1077896) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID1077896
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-11-15(2)13-17(12-14)20-19(22)16-3-5-18(6-4-16)26(23,24)21-7-9-25-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)
InChIKeyQGWIDJRRDFUNHW-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 1077896) is N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide is Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QGWIDJRRDFUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-11-15(2)13-17(12-14)20-19(22)16-3-5-18(6-4-16)26(23,24)21-7-9-25-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1077896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).