N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C18H28N2O3S — CID 109063489

IUPACN-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-4-5-11-19(3)24(22,23)17-8-6-7-16(14-17)18(21)20-12-9-15(2)10-13-20/h6-8,14-15H,4-5,9-13H2,1-3H3
InChIKeyOLDRTRCWSHSFCS-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.98
Rot. Bonds6

About N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063489) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063489
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-4-5-11-19(3)24(22,23)17-8-6-7-16(14-17)18(21)20-12-9-15(2)10-13-20/h6-8,14-15H,4-5,9-13H2,1-3H3
InChIKeyOLDRTRCWSHSFCS-UHFFFAOYSA-N
XLogP2.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 63694828
N-butyl-4-(4-ethylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109060391
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109063489) is N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CCCCN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is OLDRTRCWSHSFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-5-11-19(3)24(22,23)17-8-6-7-16(14-17)18(21)20-12-9-15(2)10-13-20/h6-8,14-15H,4-5,9-13H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).