N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

C7H9F2N3O2S — CID 66730592

IUPACN-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC(CF)CF)c1cncnc1
InChIInChI=1S/C7H9F2N3O2S/c8-1-6(2-9)12-15(13,14)7-3-10-5-11-4-7/h3-6,12H,1-2H2
InChIKeyPRFJCCRMHMMJMW-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.06
Rot. Bonds5

About N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 66730592) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID66730592
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC NameN-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC(CF)CF)c1cncnc1
InChIInChI=1S/C7H9F2N3O2S/c8-1-6(2-9)12-15(13,14)7-3-10-5-11-4-7/h3-6,12H,1-2H2
InChIKeyPRFJCCRMHMMJMW-UHFFFAOYSA-N
XLogP0.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
pyrimidin-5-ylsulfonylurea
CID 19091292
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 106185548
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116
N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
CID 95970916
5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
CID 115650475
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (CID 66730592) is N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is O=S(=O)(NC(CF)CF)c1cncnc1.
What is the InChIKey of N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is PRFJCCRMHMMJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c8-1-6(2-9)12-15(13,14)7-3-10-5-11-4-7/h3-6,12H,1-2H2.
What are the key properties of N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 237.23 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 66730592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).