N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide

C9H12ClN3O2S — CID 104821716

IUPACN-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)N1CCCC1
InChIInChI=1S/C9H12ClN3O2S/c10-8-3-4-11-9(7-8)12-16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,11,12)
InChIKeyJQXVKLSSSXNGMB-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.49
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide

N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide (PubChem CID 104821716) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
PubChem CID104821716
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC NameN-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)N1CCCC1
InChIInChI=1S/C9H12ClN3O2S/c10-8-3-4-11-9(7-8)12-16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,11,12)
InChIKeyJQXVKLSSSXNGMB-UHFFFAOYSA-N
XLogP1.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide (CID 104821716) is N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1cc(Cl)ccn1)N1CCCC1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide?
The InChIKey is JQXVKLSSSXNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-8-3-4-11-9(7-8)12-16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,11,12).
What are the key properties of N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide?
N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide has a molecular weight of 261.73 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104821716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).