N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide

C15H21NO3S — CID 110873099

IUPACN-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C2CCOCC2)C2CC2)c1
InChIInChI=1S/C15H21NO3S/c1-12-3-2-4-15(11-12)20(17,18)16(13-5-6-13)14-7-9-19-10-8-14/h2-4,11,13-14H,5-10H2,1H3
InChIKeySQFHVOSAVNFNEH-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.33
Rot. Bonds4

About N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide

N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 110873099) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID110873099
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C2CCOCC2)C2CC2)c1
InChIInChI=1S/C15H21NO3S/c1-12-3-2-4-15(11-12)20(17,18)16(13-5-6-13)14-7-9-19-10-8-14/h2-4,11,13-14H,5-10H2,1H3
InChIKeySQFHVOSAVNFNEH-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 110873099) is N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C2CCOCC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is SQFHVOSAVNFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-3-2-4-15(11-12)20(17,18)16(13-5-6-13)14-7-9-19-10-8-14/h2-4,11,13-14H,5-10H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide?
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 110873099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).