N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide

C26H22Cl2N2O2S — CID 10228596

IUPACN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C26H22Cl2N2O2S/c27-22-10-5-19(6-11-22)26(20-7-12-23(28)13-8-20)30-16-24(17-30)29-33(31,32)25-14-9-18-3-1-2-4-21(18)15-25/h1-15,24,26,29H,16-17H2
InChIKeyGYXNWKIXOPFFLF-UHFFFAOYSA-N
MW497.45 g/mol
LogP5.90
Rot. Bonds6

About N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 10228596) has the molecular formula C26H22Cl2N2O2S and a molecular weight of 497.45 g/mol. Its IUPAC name is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide
PubChem CID10228596
Molecular FormulaC26H22Cl2N2O2S
Molecular Weight497.45 g/mol
Exact Mass496.08
IUPAC NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C26H22Cl2N2O2S/c27-22-10-5-19(6-11-22)26(20-7-12-23(28)13-8-20)30-16-24(17-30)29-33(31,32)25-14-9-18-3-1-2-4-21(18)15-25/h1-15,24,26,29H,16-17H2
InChIKeyGYXNWKIXOPFFLF-UHFFFAOYSA-N
XLogP5.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.45
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide (CID 10228596) is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide is O=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is GYXNWKIXOPFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2S/c27-22-10-5-19(6-11-22)26(20-7-12-23(28)13-8-20)30-16-24(17-30)29-33(31,32)25-14-9-18-3-1-2-4-21(18)15-25/h1-15,24,26,29H,16-17H2.
What are the key properties of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide?
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 497.45 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10228596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).