N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide

C21H28FNOS — CID 135269427

IUPACN-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)Nc2ccccc2F)c(C(C)C)c1
InChIInChI=1S/C21H28FNOS/c1-13(2)16-11-17(14(3)4)21(18(12-16)15(5)6)25(24)23-20-10-8-7-9-19(20)22/h7-15,23H,1-6H3
InChIKeyFKCBGKCBPVWRMJ-UHFFFAOYSA-N
MW361.53 g/mol
LogP6.33
Rot. Bonds6

About N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide

N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide (PubChem CID 135269427) has the molecular formula C21H28FNOS and a molecular weight of 361.53 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide
PubChem CID135269427
Molecular FormulaC21H28FNOS
Molecular Weight361.53 g/mol
Exact Mass361.19
IUPAC NameN-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)Nc2ccccc2F)c(C(C)C)c1
InChIInChI=1S/C21H28FNOS/c1-13(2)16-11-17(14(3)4)21(18(12-16)15(5)6)25(24)23-20-10-8-7-9-19(20)22/h7-15,23H,1-6H3
InChIKeyFKCBGKCBPVWRMJ-UHFFFAOYSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium 2,4,6-tri(propan-2-yl)benzenesulfinate
CID 23661810
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
(NE,R)-N-benzylidene-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 46177609
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
1-[2,4-di(propan-2-yl)phenyl]-2-(2-propan-2-ylphenyl)hydrazine
CID 57083210
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol
CID 101389360
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide?
The IUPAC name of N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide (CID 135269427) is N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide?
The canonical SMILES for N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide is CC(C)c1cc(C(C)C)c(S(=O)Nc2ccccc2F)c(C(C)C)c1.
What is the InChIKey of N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide?
The InChIKey is FKCBGKCBPVWRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNOS/c1-13(2)16-11-17(14(3)4)21(18(12-16)15(5)6)25(24)23-20-10-8-7-9-19(20)22/h7-15,23H,1-6H3.
What are the key properties of N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide?
N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide has a molecular weight of 361.53 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfinamide is sourced from PubChem (CID 135269427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).