2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide

C18H29NO2S — CID 90164879

IUPAC2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2S/c1-14-11-12-17(16(13-14)18(2,3)4)22(20,21)19(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3
InChIKeyYNPSWRAPMTZUEM-UHFFFAOYSA-N
MW323.50 g/mol
LogP4.25
Rot. Bonds3

About 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide

2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide (PubChem CID 90164879) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
PubChem CID90164879
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC Name2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2S/c1-14-11-12-17(16(13-14)18(2,3)4)22(20,21)19(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3
InChIKeyYNPSWRAPMTZUEM-UHFFFAOYSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide (CID 90164879) is 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide?
The InChIKey is YNPSWRAPMTZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-14-11-12-17(16(13-14)18(2,3)4)22(20,21)19(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide?
2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide has a molecular weight of 323.50 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 90164879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).