N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C23H23Cl2N3O2S — CID 10277214

IUPACN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccnc1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23Cl2N3O2S/c1-31(29,30)28(14-17-3-2-12-26-13-17)22-15-27(16-22)23(18-4-8-20(24)9-5-18)19-6-10-21(25)11-7-19/h2-13,22-23H,14-16H2,1H3
InChIKeyVLNAPZURJYOPBL-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.62
Rot. Bonds7

About N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 10277214) has the molecular formula C23H23Cl2N3O2S and a molecular weight of 476.43 g/mol. Its IUPAC name is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID10277214
Molecular FormulaC23H23Cl2N3O2S
Molecular Weight476.43 g/mol
Exact Mass475.09
IUPAC NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccnc1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H23Cl2N3O2S/c1-31(29,30)28(14-17-3-2-12-26-13-17)22-15-27(16-22)23(18-4-8-20(24)9-5-18)19-6-10-21(25)11-7-19/h2-13,22-23H,14-16H2,1H3
InChIKeyVLNAPZURJYOPBL-UHFFFAOYSA-N
XLogP4.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]methylsulfonyl]pyridine
CID 22506747
N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 91913615
N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
3-[(S)-(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethyl]azetidin-1-yl]methyl]pyridine
CID 10276509
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24731464
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 91903873
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
5-[[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-sulfinoamino]methyl]quinoline
CID 21097950

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 10277214) is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1cccnc1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is VLNAPZURJYOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2S/c1-31(29,30)28(14-17-3-2-12-26-13-17)22-15-27(16-22)23(18-4-8-20(24)9-5-18)19-6-10-21(25)11-7-19/h2-13,22-23H,14-16H2,1H3.
What are the key properties of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 476.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 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]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 10277214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).