2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide

C19H25NO2S — CID 7275458

IUPAC2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO2S/c1-14-12-15(2)19(16(3)13-14)23(21,22)20-17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17,20H,10-11H2,1-4H3/t17-/m0/s1
InChIKeyXAVRWCLQCAJIGR-KRWDZBQOSA-N
MW331.48 g/mol
LogP3.91
Rot. Bonds6

About 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide (PubChem CID 7275458) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
PubChem CID7275458
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO2S/c1-14-12-15(2)19(16(3)13-14)23(21,22)20-17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17,20H,10-11H2,1-4H3/t17-/m0/s1
InChIKeyXAVRWCLQCAJIGR-KRWDZBQOSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide (CID 7275458) is 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
The InChIKey is XAVRWCLQCAJIGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-14-12-15(2)19(16(3)13-14)23(21,22)20-17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17,20H,10-11H2,1-4H3/t17-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7275458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).