N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide

C13H14FN3O2S — CID 86817588

IUPACN-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCCF)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H14FN3O2S/c14-7-4-8-17-20(18,19)12-9-15-13(16-10-12)11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2
InChIKeyKMDAFMFYLMQWCA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.78
Rot. Bonds6

About N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide

N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide (PubChem CID 86817588) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide
PubChem CID86817588
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCCF)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H14FN3O2S/c14-7-4-8-17-20(18,19)12-9-15-13(16-10-12)11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2
InChIKeyKMDAFMFYLMQWCA-UHFFFAOYSA-N
XLogP1.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
CID 91650250
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-(4-iodobutyl)benzenesulfonamide
CID 106846581

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide?
The IUPAC name of N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide (CID 86817588) is N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide is O=S(=O)(NCCCF)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide?
The InChIKey is KMDAFMFYLMQWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-7-4-8-17-20(18,19)12-9-15-13(16-10-12)11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2.
What are the key properties of N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide?
N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide is sourced from PubChem (CID 86817588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).