N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide

C18H27NO2S — CID 42960427

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)C(C)C2CC2)c1C
InChIInChI=1S/C18H27NO2S/c1-11-10-12(2)14(4)18(13(11)3)22(20,21)19(17-8-9-17)15(5)16-6-7-16/h10,15-17H,6-9H2,1-5H3
InChIKeyPNTLRIILNFYJBE-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.87
Rot. Bonds5

About N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 42960427) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID42960427
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)C(C)C2CC2)c1C
InChIInChI=1S/C18H27NO2S/c1-11-10-12(2)14(4)18(13(11)3)22(20,21)19(17-8-9-17)15(5)16-6-7-16/h10,15-17H,6-9H2,1-5H3
InChIKeyPNTLRIILNFYJBE-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 42960427) is N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C2CC2)C(C)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is PNTLRIILNFYJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-11-10-12(2)14(4)18(13(11)3)22(20,21)19(17-8-9-17)15(5)16-6-7-16/h10,15-17H,6-9H2,1-5H3.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 321.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 42960427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).