N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide

C23H24N2O2S — CID 21183789

IUPACN-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ccccc1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H24N2O2S/c1-28(26,27)25(21-15-9-4-10-16-21)22-17-24(18-22)23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3
InChIKeyBEDVJXBHQCWLEI-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.93
Rot. Bonds6

About N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide

N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide (PubChem CID 21183789) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide
PubChem CID21183789
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ccccc1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H24N2O2S/c1-28(26,27)25(21-15-9-4-10-16-21)22-17-24(18-22)23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3
InChIKeyBEDVJXBHQCWLEI-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-[3-(3,5-difluoro-N-methylsulfonylanilino)azetidin-1-yl]-phenylmethyl]benzoic acid
CID 162713240
[4-[(S)-[3-(3,5-difluoro-N-methylsulfonylanilino)azetidin-1-yl]-phenylmethyl]phenyl] formate
CID 162713233
N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
CID 10226707
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide
CID 44815142
N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide
CID 69446675
(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
CID 69107586
1-(1-benzhydrylazetidin-3-yl)-4-methylsulfonylpiperazine
CID 21183788
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 44814977
(3R)-1-benzhydryl-3-methylsulfonylpiperidine
CID 125141980
N-(1-amino-1-oxopropan-2-yl)-3-[[1-[bis(4-fluorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzamide
CID 74951282
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359

Frequently Asked Questions

What is the IUPAC name of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide?
The IUPAC name of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide (CID 21183789) is N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide?
The canonical SMILES for N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide is CS(=O)(=O)N(c1ccccc1)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide?
The InChIKey is BEDVJXBHQCWLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-28(26,27)25(21-15-9-4-10-16-21)22-17-24(18-22)23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3.
What are the key properties of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide?
N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 21183789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).