N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine

C16H19ClN3O2S+ — CID 9281567

IUPACN-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccccc2Cl)[nH+]c1)N1CCCC1
InChIInChI=1S/C16H18ClN3O2S/c17-15-6-2-1-5-13(15)11-18-16-8-7-14(12-19-16)23(21,22)20-9-3-4-10-20/h1-2,5-8,12H,3-4,9-11H2,(H,18,19)/p+1
InChIKeyQWXAXCMVKKFSQG-UHFFFAOYSA-O
MW352.87 g/mol
LogP2.55
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine

N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9281567) has the molecular formula C16H19ClN3O2S+ and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9281567
Molecular FormulaC16H19ClN3O2S+
Molecular Weight352.87 g/mol
Exact Mass352.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccccc2Cl)[nH+]c1)N1CCCC1
InChIInChI=1S/C16H18ClN3O2S/c17-15-6-2-1-5-13(15)11-18-16-8-7-14(12-19-16)23(21,22)20-9-3-4-10-20/h1-2,5-8,12H,3-4,9-11H2,(H,18,19)/p+1
InChIKeyQWXAXCMVKKFSQG-UHFFFAOYSA-O
XLogP2.55
TPSA63.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9251559
N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282043
N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 50806744
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9025506
N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9023748
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826359
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2532376

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine (CID 9281567) is N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine is O=S(=O)(c1ccc(NCc2ccccc2Cl)[nH+]c1)N1CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is QWXAXCMVKKFSQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClN3O2S/c17-15-6-2-1-5-13(15)11-18-16-8-7-14(12-19-16)23(21,22)20-9-3-4-10-20/h1-2,5-8,12H,3-4,9-11H2,(H,18,19)/p+1.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine?
N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 352.87 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9281567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).