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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Related Compounds

N-benzhydryl-2-hydroxyethanesulfonamide
CID 79589039
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518568
3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide
CID 67239167
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
CID 79588864
2-benzyl-3-[2-(diethylamino)ethylsulfonyl]propanoic acid
CID 15296673
N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
N-[(1R)-1-(3-cyano-1H-1,2,4-triazol-5-yl)-3-phenylpropyl]-3-(diethylamino)propane-1-sulfonamide
CID 67129901

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).