2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline

C12H17ClN2O2S — CID 113288410

IUPAC2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
SMILESCCC1CCCN1S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-2-9-4-3-7-15(9)18(16,17)10-5-6-12(14)11(13)8-10/h5-6,8-9H,2-4,7,14H2,1H3
InChIKeyHXCFORZYSYDSJV-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.49
Rot. Bonds3

About 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline

2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 113288410) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
PubChem CID113288410
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
SMILESCCC1CCCN1S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-2-9-4-3-7-15(9)18(16,17)10-5-6-12(14)11(13)8-10/h5-6,8-9H,2-4,7,14H2,1H3
InChIKeyHXCFORZYSYDSJV-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
4-(2-ethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 104688737
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
2-chloro-4-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 115642626
3-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882929
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline (CID 113288410) is 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline is CCC1CCCN1S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is HXCFORZYSYDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-9-4-3-7-15(9)18(16,17)10-5-6-12(14)11(13)8-10/h5-6,8-9H,2-4,7,14H2,1H3.
What are the key properties of 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline?
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 288.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 113288410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).