N-benzhydryl-2-(diethylamino)ethanesulfonamide

C19H26N2O2S — CID 100762604

IUPACN-benzhydryl-2-(diethylamino)ethanesulfonamide
SMILESCCN(CC)CCS(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O2S/c1-3-21(4-2)15-16-24(22,23)20-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKeyPGZPRICRIWLYQE-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.04
Rot. Bonds9

About N-benzhydryl-2-(diethylamino)ethanesulfonamide

N-benzhydryl-2-(diethylamino)ethanesulfonamide (PubChem CID 100762604) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-benzhydryl-2-(diethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-2-(diethylamino)ethanesulfonamide
PubChem CID100762604
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-benzhydryl-2-(diethylamino)ethanesulfonamide
SMILESCCN(CC)CCS(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O2S/c1-3-21(4-2)15-16-24(22,23)20-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKeyPGZPRICRIWLYQE-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(diethylamino)ethanesulfonamide?
The IUPAC name of N-benzhydryl-2-(diethylamino)ethanesulfonamide (CID 100762604) is N-benzhydryl-2-(diethylamino)ethanesulfonamide.
What is the SMILES notation for N-benzhydryl-2-(diethylamino)ethanesulfonamide?
The canonical SMILES for N-benzhydryl-2-(diethylamino)ethanesulfonamide is CCN(CC)CCS(=O)(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(diethylamino)ethanesulfonamide?
The InChIKey is PGZPRICRIWLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-3-21(4-2)15-16-24(22,23)20-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3.
What are the key properties of N-benzhydryl-2-(diethylamino)ethanesulfonamide?
N-benzhydryl-2-(diethylamino)ethanesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(diethylamino)ethanesulfonamide is sourced from PubChem (CID 100762604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).