N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide

C23H22Cl2N2O3S — CID 10184112

IUPACN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-30-21-10-12-22(13-11-21)31(28,29)26-20-14-27(15-20)23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-13,20,23,26H,14-15H2,1H3
InChIKeyKGDWBBCCMHGAEW-UHFFFAOYSA-N
MW477.41 g/mol
LogP4.75
Rot. Bonds7

About N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 10184112) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID10184112
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-30-21-10-12-22(13-11-21)31(28,29)26-20-14-27(15-20)23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-13,20,23,26H,14-15H2,1H3
InChIKeyKGDWBBCCMHGAEW-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
3-[(4-methoxyphenyl)sulfonylamino]azetidine-1-carboxamide
CID 146023038
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl] methanesulfonate
CID 139914165
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide (CID 10184112) is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is KGDWBBCCMHGAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-30-21-10-12-22(13-11-21)31(28,29)26-20-14-27(15-20)23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-13,20,23,26H,14-15H2,1H3.
What are the key properties of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide?
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 477.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 10184112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).