N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide

C16H24N2O4S — CID 110677161

IUPACN-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O4S/c1-3-4-8-17(2)23(20,21)15-7-5-6-14(13-15)16(19)18-9-11-22-12-10-18/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyKGJYVNGGABNBJV-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.58
Rot. Bonds6

About N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide

N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110677161) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID110677161
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O4S/c1-3-4-8-17(2)23(20,21)15-7-5-6-14(13-15)16(19)18-9-11-22-12-10-18/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyKGJYVNGGABNBJV-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063489
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 72851775
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-butyl-N-methyl-3-[N-[4-(morpholine-4-carbonyl)phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 123288676
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109060391
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 63694828
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 110677161) is N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is CCCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is KGJYVNGGABNBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-4-8-17(2)23(20,21)15-7-5-6-14(13-15)16(19)18-9-11-22-12-10-18/h5-7,13H,3-4,8-12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110677161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).