4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide

C13H19ClN2O2S — CID 3527050

IUPAC4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
SMILESCN1CCCC1CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-16-10-2-3-12(16)8-9-15-19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyYFURBAMMYAYCKJ-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.10
Rot. Bonds5

About 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide (PubChem CID 3527050) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
PubChem CID3527050
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
SMILESCN1CCCC1CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-16-10-2-3-12(16)8-9-15-19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyYFURBAMMYAYCKJ-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 59344869
N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 22500529
N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;dihydrochloride
CID 56649780
N-[2-(4-chlorophenyl)ethylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
CID 20774702
N-[(4-chlorophenyl)methylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
CID 20774720
N-[(4-chlorophenyl)methylsulfamoyl]-4-[(2S)-1-methylpyrrolidin-2-yl]butan-1-amine
CID 20774726
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
CID 57202265
4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709964
4-(2-hydroxyethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022553
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
4-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide (CID 3527050) is 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide is CN1CCCC1CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YFURBAMMYAYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-16-10-2-3-12(16)8-9-15-19(17,18)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3527050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).