N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide

C15H25N3O2S — CID 43454407

IUPACN-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1CCCN1CC
InChIInChI=1S/C15H25N3O2S/c1-3-17-21(19,20)15-10-6-5-9-14(15)16-12-13-8-7-11-18(13)4-2/h5-6,9-10,13,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyCHWYIDSBPJSHOH-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.88
Rot. Bonds7

About N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide

N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide (PubChem CID 43454407) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
PubChem CID43454407
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1CCCN1CC
InChIInChI=1S/C15H25N3O2S/c1-3-17-21(19,20)15-10-6-5-9-14(15)16-12-13-8-7-11-18(13)4-2/h5-6,9-10,13,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyCHWYIDSBPJSHOH-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-nitroaniline
CID 104835688
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
5-amino-3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79899490
N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 62164191
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 104952984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide (CID 43454407) is N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC1CCCN1CC.
What is the InChIKey of N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
The InChIKey is CHWYIDSBPJSHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-17-21(19,20)15-10-6-5-9-14(15)16-12-13-8-7-11-18(13)4-2/h5-6,9-10,13,16-17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide?
N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43454407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).