4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C16H20N2O2S2 — CID 35539083

IUPAC4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C16H20N2O2S2/c1-12-11-21-16(17-12)18-22(19,20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18)
InChIKeyVVSDOVRPDNEIMC-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.30
Rot. Bonds4

About 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 35539083) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID35539083
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C16H20N2O2S2/c1-12-11-21-16(17-12)18-22(19,20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18)
InChIKeyVVSDOVRPDNEIMC-UHFFFAOYSA-N
XLogP4.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 35539083) is 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VVSDOVRPDNEIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-11-21-16(17-12)18-22(19,20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 336.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35539083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).