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

C26H22Cl2N2O2S — CID 10278474

IUPACN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H22Cl2N2O2S/c27-21-12-8-19(9-13-21)26(20-10-14-22(28)15-11-20)30-16-23(17-30)29-33(31,32)25-7-3-5-18-4-1-2-6-24(18)25/h1-15,23,26,29H,16-17H2
InChIKeyCZQJHJMOLOGYRX-UHFFFAOYSA-N
MW497.45 g/mol
LogP5.90
Rot. Bonds6

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

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 10278474) 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-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide
PubChem CID10278474
Molecular FormulaC26H22Cl2N2O2S
Molecular Weight497.45 g/mol
Exact Mass496.08
IUPAC NameN-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H22Cl2N2O2S/c27-21-12-8-19(9-13-21)26(20-10-14-22(28)15-11-20)30-16-23(17-30)29-33(31,32)25-7-3-5-18-4-1-2-6-24(18)25/h1-15,23,26,29H,16-17H2
InChIKeyCZQJHJMOLOGYRX-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide (CID 10278474) is N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide is O=S(=O)(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide?
The InChIKey is CZQJHJMOLOGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2S/c27-21-12-8-19(9-13-21)26(20-10-14-22(28)15-11-20)30-16-23(17-30)29-33(31,32)25-7-3-5-18-4-1-2-6-24(18)25/h1-15,23,26,29H,16-17H2.
What are the key properties of N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide?
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-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-1-sulfonamide is sourced from PubChem (CID 10278474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).