2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide

C8H8ClN5O3S — CID 114183471

IUPAC2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1cnc(Cl)nc1
InChIInChI=1S/C8H8ClN5O3S/c9-8-10-3-6(4-11-8)18(15,16)13-2-1-7-12-5-17-14-7/h3-5,13H,1-2H2
InChIKeyKCBFUSHLTRWVBJ-UHFFFAOYSA-N
MW289.70 g/mol
LogP0.03
Rot. Bonds5

About 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide

2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 114183471) has the molecular formula C8H8ClN5O3S and a molecular weight of 289.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
PubChem CID114183471
Molecular FormulaC8H8ClN5O3S
Molecular Weight289.70 g/mol
Exact Mass289.00
IUPAC Name2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1cnc(Cl)nc1
InChIInChI=1S/C8H8ClN5O3S/c9-8-10-3-6(4-11-8)18(15,16)13-2-1-7-12-5-17-14-7/h3-5,13H,1-2H2
InChIKeyKCBFUSHLTRWVBJ-UHFFFAOYSA-N
XLogP0.03
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411260
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411354
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 106401477
2-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]acetic acid
CID 106395234
2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049
5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411257

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide (CID 114183471) is 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide is O=S(=O)(NCCc1ncon1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is KCBFUSHLTRWVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O3S/c9-8-10-3-6(4-11-8)18(15,16)13-2-1-7-12-5-17-14-7/h3-5,13H,1-2H2.
What are the key properties of 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 289.70 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 114183471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).