N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C28H34FNO2S — CID 134927249

IUPACN-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NC(c2ccccc2)c2ccc(F)cc2)c(C(C)C)c1
InChIInChI=1S/C28H34FNO2S/c1-18(2)23-16-25(19(3)4)28(26(17-23)20(5)6)33(31,32)30-27(21-10-8-7-9-11-21)22-12-14-24(29)15-13-22/h7-20,27,30H,1-6H3
InChIKeyBUEUIKIMGJISJA-UHFFFAOYSA-N
MW467.65 g/mol
LogP7.26
Rot. Bonds8

About N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 134927249) has the molecular formula C28H34FNO2S and a molecular weight of 467.65 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID134927249
Molecular FormulaC28H34FNO2S
Molecular Weight467.65 g/mol
Exact Mass467.23
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NC(c2ccccc2)c2ccc(F)cc2)c(C(C)C)c1
InChIInChI=1S/C28H34FNO2S/c1-18(2)23-16-25(19(3)4)28(26(17-23)20(5)6)33(31,32)30-27(21-10-8-7-9-11-21)22-12-14-24(29)15-13-22/h7-20,27,30H,1-6H3
InChIKeyBUEUIKIMGJISJA-UHFFFAOYSA-N
XLogP7.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 134927249) is N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(c2ccccc2)c2ccc(F)cc2)c(C(C)C)c1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is BUEUIKIMGJISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FNO2S/c1-18(2)23-16-25(19(3)4)28(26(17-23)20(5)6)33(31,32)30-27(21-10-8-7-9-11-21)22-12-14-24(29)15-13-22/h7-20,27,30H,1-6H3.
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 467.65 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 134927249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).