2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide

C11H15ClN4O2S — CID 61051569

IUPAC2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)c1cnc(Cl)nc1
InChIInChI=1S/C11H15ClN4O2S/c12-11-13-6-8(7-14-11)19(17,18)15-9-3-5-16-4-1-2-10(9)16/h6-7,9-10,15H,1-5H2
InChIKeyIWMHELCVZJRCET-UHFFFAOYSA-N
MW302.79 g/mol
LogP0.64
Rot. Bonds3

About 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide

2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide (PubChem CID 61051569) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
PubChem CID61051569
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC1CCN2CCCC12)c1cnc(Cl)nc1
InChIInChI=1S/C11H15ClN4O2S/c12-11-13-6-8(7-14-11)19(17,18)15-9-3-5-16-4-1-2-10(9)16/h6-7,9-10,15H,1-5H2
InChIKeyIWMHELCVZJRCET-UHFFFAOYSA-N
XLogP0.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
CID 114958264
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
CID 81258644
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
CID 114122877
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
CID 62158279
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide
CID 80715203
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106010727
2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64921363
4-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzenesulfonamide
CID 82845893
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
N-(5-bromo-2-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79072472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide (CID 61051569) is 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide is O=S(=O)(NC1CCN2CCCC12)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide?
The InChIKey is IWMHELCVZJRCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c12-11-13-6-8(7-14-11)19(17,18)15-9-3-5-16-4-1-2-10(9)16/h6-7,9-10,15H,1-5H2.
What are the key properties of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide has a molecular weight of 302.79 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61051569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).