2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide

C16H19ClN2O2S2 — CID 167879332

IUPAC2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O2S2/c1-11-7-8-15(13(17)9-11)23(20,21)19-16-18-14(10-22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyYRLIPOWFHSDTMI-UHFFFAOYSA-N
MW370.93 g/mol
LogP4.95
Rot. Bonds4

About 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide

2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 167879332) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID167879332
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O2S2/c1-11-7-8-15(13(17)9-11)23(20,21)19-16-18-14(10-22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyYRLIPOWFHSDTMI-UHFFFAOYSA-N
XLogP4.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (CID 167879332) is 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is YRLIPOWFHSDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-11-7-8-15(13(17)9-11)23(20,21)19-16-18-14(10-22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 370.93 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 167879332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).