1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine

C14H21ClN2O2S — CID 120999245

IUPAC1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cc(C(C)C)ccc2Cl)C1
InChIInChI=1S/C14H21ClN2O2S/c1-10(2)11-4-5-13(15)14(8-11)20(18,19)17-7-6-12(9-17)16-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeySQRBPHBXYGPYHT-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine

1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine (PubChem CID 120999245) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
PubChem CID120999245
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cc(C(C)C)ccc2Cl)C1
InChIInChI=1S/C14H21ClN2O2S/c1-10(2)11-4-5-13(15)14(8-11)20(18,19)17-7-6-12(9-17)16-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeySQRBPHBXYGPYHT-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963067
(3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine;dihydrochloride
CID 67524094
bis((3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine);hydrochloride
CID 172708331

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine (CID 120999245) is 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2cc(C(C)C)ccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine?
The InChIKey is SQRBPHBXYGPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10(2)11-4-5-13(15)14(8-11)20(18,19)17-7-6-12(9-17)16-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine?
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine has a molecular weight of 316.85 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 120999245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).