4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide

C17H19ClN2O2S2 — CID 1167631

IUPAC4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S2/c18-13-8-10-14(11-9-13)24(21,22)20-15-5-1-2-6-16(15)23-17-7-3-4-12-19-17/h3-4,7-12,15-16,20H,1-2,5-6H2/t15-,16+/m0/s1
InChIKeyFOGHAIRVAITWCW-JKSUJKDBSA-N
MW382.94 g/mol
LogP4.12
Rot. Bonds5

About 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide

4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide (PubChem CID 1167631) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
PubChem CID1167631
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC Name4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S2/c18-13-8-10-14(11-9-13)24(21,22)20-15-5-1-2-6-16(15)23-17-7-3-4-12-19-17/h3-4,7-12,15-16,20H,1-2,5-6H2/t15-,16+/m0/s1
InChIKeyFOGHAIRVAITWCW-JKSUJKDBSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide (CID 1167631) is 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide?
The InChIKey is FOGHAIRVAITWCW-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19ClN2O2S2/c18-13-8-10-14(11-9-13)24(21,22)20-15-5-1-2-6-16(15)23-17-7-3-4-12-19-17/h3-4,7-12,15-16,20H,1-2,5-6H2/t15-,16+/m0/s1.
What are the key properties of 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide?
4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide has a molecular weight of 382.94 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 1167631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).