4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide

C16H18ClN3O2S2 — CID 2913622

IUPAC4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2S2/c17-12-6-8-13(9-7-12)24(21,22)20-14-4-1-2-5-15(14)23-16-18-10-3-11-19-16/h3,6-11,14-15,20H,1-2,4-5H2
InChIKeyLMRZAQUSULQHAW-UHFFFAOYSA-N
MW383.93 g/mol
LogP3.51
Rot. Bonds5

About 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide

4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide (PubChem CID 2913622) has the molecular formula C16H18ClN3O2S2 and a molecular weight of 383.93 g/mol. Its IUPAC name is 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide
PubChem CID2913622
Molecular FormulaC16H18ClN3O2S2
Molecular Weight383.93 g/mol
Exact Mass383.05
IUPAC Name4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2S2/c17-12-6-8-13(9-7-12)24(21,22)20-14-4-1-2-5-15(14)23-16-18-10-3-11-19-16/h3,6-11,14-15,20H,1-2,4-5H2
InChIKeyLMRZAQUSULQHAW-UHFFFAOYSA-N
XLogP3.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide (CID 2913622) is 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide?
The InChIKey is LMRZAQUSULQHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S2/c17-12-6-8-13(9-7-12)24(21,22)20-14-4-1-2-5-15(14)23-16-18-10-3-11-19-16/h3,6-11,14-15,20H,1-2,4-5H2.
What are the key properties of 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide?
4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide has a molecular weight of 383.93 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyrimidin-2-ylsulfanylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 2913622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).