2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide

C8H12ClN3O3S — CID 60980774

IUPAC2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O3S/c1-2-12(3-4-13)16(14,15)7-5-10-8(9)11-6-7/h5-6,13H,2-4H2,1H3
InChIKeyPNZXWHHAVYPTEJ-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.13
Rot. Bonds5

About 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide

2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide (PubChem CID 60980774) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide
PubChem CID60980774
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O3S/c1-2-12(3-4-13)16(14,15)7-5-10-8(9)11-6-7/h5-6,13H,2-4H2,1H3
InChIKeyPNZXWHHAVYPTEJ-UHFFFAOYSA-N
XLogP0.13
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
CID 64602257
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
CID 174467940
CID 174467940
N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
methyl 3-[(2-chloropyrimidin-5-yl)sulfonyl-methylamino]propanoate
CID 55002182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide (CID 60980774) is 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide is CCN(CCO)S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide?
The InChIKey is PNZXWHHAVYPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-2-12(3-4-13)16(14,15)7-5-10-8(9)11-6-7/h5-6,13H,2-4H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide?
2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide has a molecular weight of 265.72 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 60980774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).