N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide

C14H23N3O2S — CID 43332097

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-17-10-4-5-13(17)11-16-20(18,19)14-8-6-12(15-2)7-9-14/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyFVMVFTZZKIQRNY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide (PubChem CID 43332097) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
PubChem CID43332097
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-17-10-4-5-13(17)11-16-20(18,19)14-8-6-12(15-2)7-9-14/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyFVMVFTZZKIQRNY-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 127266419
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140772672
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-oxo-3-propan-2-yl-1,3-benzoxazole-6-sulfonamide
CID 51499702
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
CID 92501377

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide (CID 43332097) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide is CCN1CCCC1CNS(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is FVMVFTZZKIQRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17-10-4-5-13(17)11-16-20(18,19)14-8-6-12(15-2)7-9-14/h6-9,13,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43332097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).