3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide

C16H24N2O3S — CID 75448521

IUPAC3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NS(=O)(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O3S/c1-11-4-5-12(15(17)19)10-14(11)18-22(20,21)13-6-8-16(2,3)9-7-13/h4-5,10,13,18H,6-9H2,1-3H3,(H2,17,19)
InChIKeyBGKUXDOZTZFULN-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.80
Rot. Bonds4

About 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide

3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide (PubChem CID 75448521) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide
PubChem CID75448521
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NS(=O)(=O)C1CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O3S/c1-11-4-5-12(15(17)19)10-14(11)18-22(20,21)13-6-8-16(2,3)9-7-13/h4-5,10,13,18H,6-9H2,1-3H3,(H2,17,19)
InChIKeyBGKUXDOZTZFULN-UHFFFAOYSA-N
XLogP2.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide?
The IUPAC name of 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide (CID 75448521) is 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide.
What is the SMILES notation for 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide?
The canonical SMILES for 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1NS(=O)(=O)C1CCC(C)(C)CC1.
What is the InChIKey of 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide?
The InChIKey is BGKUXDOZTZFULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-4-5-12(15(17)19)10-14(11)18-22(20,21)13-6-8-16(2,3)9-7-13/h4-5,10,13,18H,6-9H2,1-3H3,(H2,17,19).
What are the key properties of 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide?
3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide has a molecular weight of 324.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide is sourced from PubChem (CID 75448521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).