N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide

C11H15NO3S — CID 1248328

IUPACN-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H15NO3S/c1-8-3-6-10(15-2)11(7-8)16(13,14)12-9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyHCVUYTWHJIWEAL-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.44
Rot. Bonds4

About N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide

N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 1248328) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide
PubChem CID1248328
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H15NO3S/c1-8-3-6-10(15-2)11(7-8)16(13,14)12-9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyHCVUYTWHJIWEAL-UHFFFAOYSA-N
XLogP1.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide (CID 1248328) is N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is HCVUYTWHJIWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-3-6-10(15-2)11(7-8)16(13,14)12-9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3.
What are the key properties of N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide?
N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 1248328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).