2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline

C14H12ClFN2O2S — CID 142737251

IUPAC2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline
SMILESO=S(=O)(c1cccc(F)c1)c1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C14H12ClFN2O2S/c15-14-17-12-7-2-1-6-11(12)13(18-14)21(19,20)10-5-3-4-9(16)8-10/h3-5,8H,1-2,6-7H2
InChIKeyCRYBFRKQUMQPHY-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline

2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 142737251) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline
PubChem CID142737251
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC Name2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline
SMILESO=S(=O)(c1cccc(F)c1)c1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C14H12ClFN2O2S/c15-14-17-12-7-2-1-6-11(12)13(18-14)21(19,20)10-5-3-4-9(16)8-10/h3-5,8H,1-2,6-7H2
InChIKeyCRYBFRKQUMQPHY-UHFFFAOYSA-N
XLogP2.98
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 118240606
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
3-(3-fluorophenyl)sulfonylpyridine-2,6-diamine
CID 175083603
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
1-cyclobutylsulfonyl-3-fluorobenzene
CID 141111892
4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
CID 56923463
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
2-chloro-5-[(Z)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
CID 162673581
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
2-chloro-4-(4-fluorophenyl)-3-(3-fluorophenyl)sulfonylquinoline
CID 90789688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline (CID 142737251) is 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline is O=S(=O)(c1cccc(F)c1)c1nc(Cl)nc2c1CCCC2.
What is the InChIKey of 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is CRYBFRKQUMQPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c15-14-17-12-7-2-1-6-11(12)13(18-14)21(19,20)10-5-3-4-9(16)8-10/h3-5,8H,1-2,6-7H2.
What are the key properties of 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline?
2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 326.78 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 142737251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).