benzhydryl 2-(benzenesulfonamido)acetate

C21H19NO4S — CID 1310060

IUPACbenzhydryl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO4S/c23-20(16-22-27(24,25)19-14-8-3-9-15-19)26-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2
InChIKeyIXDOLZTVYSRQQP-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.30
Rot. Bonds7

About benzhydryl 2-(benzenesulfonamido)acetate

benzhydryl 2-(benzenesulfonamido)acetate (PubChem CID 1310060) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is benzhydryl 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Namebenzhydryl 2-(benzenesulfonamido)acetate
PubChem CID1310060
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Namebenzhydryl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO4S/c23-20(16-22-27(24,25)19-14-8-3-9-15-19)26-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2
InChIKeyIXDOLZTVYSRQQP-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(benzenesulfonamido)acetate?
The IUPAC name of benzhydryl 2-(benzenesulfonamido)acetate (CID 1310060) is benzhydryl 2-(benzenesulfonamido)acetate.
What is the SMILES notation for benzhydryl 2-(benzenesulfonamido)acetate?
The canonical SMILES for benzhydryl 2-(benzenesulfonamido)acetate is O=C(CNS(=O)(=O)c1ccccc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(benzenesulfonamido)acetate?
The InChIKey is IXDOLZTVYSRQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c23-20(16-22-27(24,25)19-14-8-3-9-15-19)26-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2.
What are the key properties of benzhydryl 2-(benzenesulfonamido)acetate?
benzhydryl 2-(benzenesulfonamido)acetate has a molecular weight of 381.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 1310060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).