4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide

C17H25NO4S2 — CID 60540246

IUPAC4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C2
InChIInChI=1S/C17H25NO4S2/c1-16(2)12-9-10-17(16,3)15(11-12)18-24(21,22)14-7-5-13(6-8-14)23(4,19)20/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyRSNVMRILZFZWLD-UHFFFAOYSA-N
MW371.52 g/mol
LogP2.58
Rot. Bonds4

About 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide

4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide (PubChem CID 60540246) has the molecular formula C17H25NO4S2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
PubChem CID60540246
Molecular FormulaC17H25NO4S2
Molecular Weight371.52 g/mol
Exact Mass371.12
IUPAC Name4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C2
InChIInChI=1S/C17H25NO4S2/c1-16(2)12-9-10-17(16,3)15(11-12)18-24(21,22)14-7-5-13(6-8-14)23(4,19)20/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyRSNVMRILZFZWLD-UHFFFAOYSA-N
XLogP2.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The IUPAC name of 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide (CID 60540246) is 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide.
What is the SMILES notation for 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The canonical SMILES for 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide is CC1(C)C2CCC1(C)C(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C2.
What is the InChIKey of 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The InChIKey is RSNVMRILZFZWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S2/c1-16(2)12-9-10-17(16,3)15(11-12)18-24(21,22)14-7-5-13(6-8-14)23(4,19)20/h5-8,12,15,18H,9-11H2,1-4H3.
What are the key properties of 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide has a molecular weight of 371.52 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide is sourced from PubChem (CID 60540246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).