4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide

C15H17ClN2O2S2 — CID 1146903

IUPAC4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CSc1ccccn1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S2/c1-15(2,11-21-14-5-3-4-10-17-14)18-22(19,20)13-8-6-12(16)7-9-13/h3-10,18H,11H2,1-2H3
InChIKeyVIQUKHUSUPYEKA-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.58
Rot. Bonds6

About 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide

4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 1146903) has the molecular formula C15H17ClN2O2S2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID1146903
Molecular FormulaC15H17ClN2O2S2
Molecular Weight356.90 g/mol
Exact Mass356.04
IUPAC Name4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CSc1ccccn1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S2/c1-15(2,11-21-14-5-3-4-10-17-14)18-22(19,20)13-8-6-12(16)7-9-13/h3-10,18H,11H2,1-2H3
InChIKeyVIQUKHUSUPYEKA-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide (CID 1146903) is 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide is CC(C)(CSc1ccccn1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is VIQUKHUSUPYEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S2/c1-15(2,11-21-14-5-3-4-10-17-14)18-22(19,20)13-8-6-12(16)7-9-13/h3-10,18H,11H2,1-2H3.
What are the key properties of 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 356.90 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-1-pyridin-2-ylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 1146903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).