N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide

C16H20N4O4S — CID 72851775

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H20N4O4S/c1-19(12-15-17-5-6-18-15)25(22,23)14-4-2-3-13(11-14)16(21)20-7-9-24-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,17,18)
InChIKeyXJSVGTUPVCZNIH-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.70
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 72851775) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID72851775
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H20N4O4S/c1-19(12-15-17-5-6-18-15)25(22,23)14-4-2-3-13(11-14)16(21)20-7-9-24-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,17,18)
InChIKeyXJSVGTUPVCZNIH-UHFFFAOYSA-N
XLogP0.70
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 72875865
3-(chloromethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 114279758
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(morpholine-4-carbonyl)benzamide
CID 135100110
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
3-[[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 64511823
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 72851775) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is XJSVGTUPVCZNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-19(12-15-17-5-6-18-15)25(22,23)14-4-2-3-13(11-14)16(21)20-7-9-24-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 72851775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).