3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride

C10H8ClF3O2S — CID 119082926

IUPAC3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O2S/c11-17(15,16)9-4-7(6-1-2-6)3-8(5-9)10(12,13)14/h3-6H,1-2H2
InChIKeyHIESRTVMIWPMMW-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.51
Rot. Bonds2

About 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride

3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 119082926) has the molecular formula C10H8ClF3O2S and a molecular weight of 284.69 g/mol. Its IUPAC name is 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID119082926
Molecular FormulaC10H8ClF3O2S
Molecular Weight284.69 g/mol
Exact Mass283.99
IUPAC Name3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O2S/c11-17(15,16)9-4-7(6-1-2-6)3-8(5-9)10(12,13)14/h3-6H,1-2H2
InChIKeyHIESRTVMIWPMMW-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 2778610
[4-[3-cyclopropyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42625862
3-(4-fluorophenyl)-5-(trifluoromethyl)benzenesulfonyl chloride
CID 46313179
3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline
CID 123932964
3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzenesulfonyl chloride
CID 83271460
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride
CID 151611136
4-cyclopropyl-2-(trifluoromethyl)pyridine
CID 143990430
1,3,5-tricyclopropylbenzene
CID 13056331
3-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22077764
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
2,8-bis[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10a,11,11a,12a-octadecahydroindeno[2,1-b]fluorene-10,12-dione
CID 173466575

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride (CID 119082926) is 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(C2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is HIESRTVMIWPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O2S/c11-17(15,16)9-4-7(6-1-2-6)3-8(5-9)10(12,13)14/h3-6H,1-2H2.
What are the key properties of 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride?
3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 284.69 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 119082926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).