3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide

C14H14Cl2N2O2S — CID 113091934

IUPAC3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H14Cl2N2O2S/c1-14(2,13-5-3-4-8-17-13)18-21(19,20)10-6-7-11(15)12(16)9-10/h3-9,18H,1-2H3
InChIKeyFQLXTRBEOFXXNY-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.60
Rot. Bonds4

About 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide

3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 113091934) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID113091934
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H14Cl2N2O2S/c1-14(2,13-5-3-4-8-17-13)18-21(19,20)10-6-7-11(15)12(16)9-10/h3-9,18H,1-2H3
InChIKeyFQLXTRBEOFXXNY-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide (CID 113091934) is 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is FQLXTRBEOFXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-14(2,13-5-3-4-8-17-13)18-21(19,20)10-6-7-11(15)12(16)9-10/h3-9,18H,1-2H3.
What are the key properties of 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113091934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).