N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide

C14H23N3O2S — CID 106618597

IUPACN-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N(C)CC2CCCN2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)14-8-6-13(7-9-14)17(2)11-12-5-4-10-15-12/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyDXGMBSJGEWTBMP-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.17
Rot. Bonds6

About N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide

N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 106618597) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
PubChem CID106618597
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N(C)CC2CCCN2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)14-8-6-13(7-9-14)17(2)11-12-5-4-10-15-12/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyDXGMBSJGEWTBMP-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
4-(difluoromethylsulfonyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619501
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide (CID 106618597) is N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N(C)CC2CCCN2)cc1.
What is the InChIKey of N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is DXGMBSJGEWTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-20(18,19)14-8-6-13(7-9-14)17(2)11-12-5-4-10-15-12/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide?
N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 106618597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).