4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide

C18H21NO3S — CID 102148115

IUPAC4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(20,21)19-18(17-8-5-13-22-17)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-19H,5,8,13H2,1H3/t17-,18-/m1/s1
InChIKeyLZYUDPNDLXVCJT-QZTJIDSGSA-N
MW331.44 g/mol
LogP3.19
Rot. Bonds5

About 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide

4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide (PubChem CID 102148115) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide
PubChem CID102148115
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(20,21)19-18(17-8-5-13-22-17)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-19H,5,8,13H2,1H3/t17-,18-/m1/s1
InChIKeyLZYUDPNDLXVCJT-QZTJIDSGSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide (CID 102148115) is 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1.
What is the InChIKey of 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide?
The InChIKey is LZYUDPNDLXVCJT-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(20,21)19-18(17-8-5-13-22-17)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-19H,5,8,13H2,1H3/t17-,18-/m1/s1.
What are the key properties of 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide?
4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 102148115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).