N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide

C20H24N2O4S — CID 53278764

IUPACN,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-3-9-19(10-4-16)27(24,25)21(2)15-17-5-7-18(8-6-17)20(23)22-11-13-26-14-12-22/h3-10H,11-15H2,1-2H3
InChIKeyZFYHVBUPAUWQST-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.29
Rot. Bonds5

About N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide

N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 53278764) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID53278764
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-3-9-19(10-4-16)27(24,25)21(2)15-17-5-7-18(8-6-17)20(23)22-11-13-26-14-12-22/h3-10H,11-15H2,1-2H3
InChIKeyZFYHVBUPAUWQST-UHFFFAOYSA-N
XLogP2.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37478178
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119982357
N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
CID 115575680
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
N-[[4-[(furan-2-carbonylamino)carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 25499935
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (CID 53278764) is N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZFYHVBUPAUWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-3-9-19(10-4-16)27(24,25)21(2)15-17-5-7-18(8-6-17)20(23)22-11-13-26-14-12-22/h3-10H,11-15H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53278764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).