N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide

C17H25NO3S — CID 110873091

IUPACN-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C2CCOCC2)C2CC2)c(C)c1
InChIInChI=1S/C17H25NO3S/c1-12-10-13(2)17(14(3)11-12)22(19,20)18(15-4-5-15)16-6-8-21-9-7-16/h10-11,15-16H,4-9H2,1-3H3
InChIKeyGTMDKYZLTVUSRK-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.94
Rot. Bonds4

About N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide

N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 110873091) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID110873091
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C2CCOCC2)C2CC2)c(C)c1
InChIInChI=1S/C17H25NO3S/c1-12-10-13(2)17(14(3)11-12)22(19,20)18(15-4-5-15)16-6-8-21-9-7-16/h10-11,15-16H,4-9H2,1-3H3
InChIKeyGTMDKYZLTVUSRK-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873099
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873083
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
2-bromo-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
CID 90313297
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
CID 42723781
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide
CID 169432194

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide (CID 110873091) is N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C2CCOCC2)C2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is GTMDKYZLTVUSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-12-10-13(2)17(14(3)11-12)22(19,20)18(15-4-5-15)16-6-8-21-9-7-16/h10-11,15-16H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 110873091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).