N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide

C8H11ClN4O2S — CID 116798744

IUPACN-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C8H11ClN4O2S/c9-8-10-4-3-7(11-8)12-16(14,15)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,10,11,12)
InChIKeyUCYAPVHBRSFGSR-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.88
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide

N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide (PubChem CID 116798744) has the molecular formula C8H11ClN4O2S and a molecular weight of 262.72 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
PubChem CID116798744
Molecular FormulaC8H11ClN4O2S
Molecular Weight262.72 g/mol
Exact Mass262.03
IUPAC NameN-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C8H11ClN4O2S/c9-8-10-4-3-7(11-8)12-16(14,15)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,10,11,12)
InChIKeyUCYAPVHBRSFGSR-UHFFFAOYSA-N
XLogP0.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
CID 104821716
N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
CID 104821771
N-(6-chloro-2-pyridinyl)piperidine-1-sulfonamide
CID 104821271
N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
CID 43520623
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]piperidine-1-sulfonamide
CID 11646302
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
CID 114813679
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide (CID 116798744) is N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1ccnc(Cl)n1)N1CCCC1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide?
The InChIKey is UCYAPVHBRSFGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S/c9-8-10-4-3-7(11-8)12-16(14,15)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,10,11,12).
What are the key properties of N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide?
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide has a molecular weight of 262.72 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 116798744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).