N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide

C23H20Cl2N2O4S — CID 68942165

IUPACN-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C23H20Cl2N2O4S/c24-17-12-10-16(11-13-17)22(20-8-4-5-9-21(20)25)31-18-14-27(15-18)23(28)26-32(29,30)19-6-2-1-3-7-19/h1-13,18,22H,14-15H2,(H,26,28)
InChIKeyRJNCRFHOPDVMMW-UHFFFAOYSA-N
MW491.40 g/mol
LogP4.88
Rot. Bonds6

About N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide

N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide (PubChem CID 68942165) has the molecular formula C23H20Cl2N2O4S and a molecular weight of 491.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
PubChem CID68942165
Molecular FormulaC23H20Cl2N2O4S
Molecular Weight491.40 g/mol
Exact Mass490.05
IUPAC NameN-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C23H20Cl2N2O4S/c24-17-12-10-16(11-13-17)22(20-8-4-5-9-21(20)25)31-18-14-27(15-18)23(28)26-32(29,30)19-6-2-1-3-7-19/h1-13,18,22H,14-15H2,(H,26,28)
InChIKeyRJNCRFHOPDVMMW-UHFFFAOYSA-N
XLogP4.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
CID 11166483
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 11235898
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 142774735
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
CID 68902343
3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide
CID 68905973
1-(benzenesulfonyl)-3-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]azetidine;1-butylsulfonyl-3-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]azetidine
CID 87886985
tert-butyl-[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]piperidin-1-yl]carbamic acid
CID 68947794
3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide
CID 167069098
N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68904220
N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11292673

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide (CID 68942165) is N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.
What is the InChIKey of N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
The InChIKey is RJNCRFHOPDVMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4S/c24-17-12-10-16(11-13-17)22(20-8-4-5-9-21(20)25)31-18-14-27(15-18)23(28)26-32(29,30)19-6-2-1-3-7-19/h1-13,18,22H,14-15H2,(H,26,28).
What are the key properties of N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide has a molecular weight of 491.40 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 68942165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).