4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide

C34H37NO5S — CID 134846652

IUPAC4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide
SMILESC=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C34H37NO5S/c1-3-33(39-24-29-15-9-5-10-16-29)34(40-25-30-17-11-6-12-18-30)32(26-38-23-28-13-7-4-8-14-28)35-41(36,37)31-21-19-27(2)20-22-31/h3-22,32-35H,1,23-26H2,2H3/t32-,33-,34-/m1/s1
InChIKeyYXIDWTRMYRQDHI-CKOYEXALSA-N
MW571.74 g/mol
LogP6.22
Rot. Bonds16

About 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide

4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide (PubChem CID 134846652) has the molecular formula C34H37NO5S and a molecular weight of 571.74 g/mol. Its IUPAC name is 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide
PubChem CID134846652
Molecular FormulaC34H37NO5S
Molecular Weight571.74 g/mol
Exact Mass571.24
IUPAC Name4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide
SMILESC=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C34H37NO5S/c1-3-33(39-24-29-15-9-5-10-16-29)34(40-25-30-17-11-6-12-18-30)32(26-38-23-28-13-7-4-8-14-28)35-41(36,37)31-21-19-27(2)20-22-31/h3-22,32-35H,1,23-26H2,2H3/t32-,33-,34-/m1/s1
InChIKeyYXIDWTRMYRQDHI-CKOYEXALSA-N
XLogP6.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.74
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide (CID 134846652) is 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide is C=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide?
The InChIKey is YXIDWTRMYRQDHI-CKOYEXALSA-N. The full InChI is InChI=1S/C34H37NO5S/c1-3-33(39-24-29-15-9-5-10-16-29)34(40-25-30-17-11-6-12-18-30)32(26-38-23-28-13-7-4-8-14-28)35-41(36,37)31-21-19-27(2)20-22-31/h3-22,32-35H,1,23-26H2,2H3/t32-,33-,34-/m1/s1.
What are the key properties of 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide?
4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide has a molecular weight of 571.74 g/mol, XLogP of 6.22, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 134846652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).