4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide

C15H21FN2O3S — CID 126822199

IUPAC4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(N3CCOCC3)C2)ccc1F
InChIInChI=1S/C15H21FN2O3S/c1-11-8-14(2-3-15(11)16)22(19,20)17-12-9-13(10-12)18-4-6-21-7-5-18/h2-3,8,12-13,17H,4-7,9-10H2,1H3
InChIKeyPVCUPPCWROQSBZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.28
Rot. Bonds4

About 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide

4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide (PubChem CID 126822199) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide
PubChem CID126822199
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(N3CCOCC3)C2)ccc1F
InChIInChI=1S/C15H21FN2O3S/c1-11-8-14(2-3-15(11)16)22(19,20)17-12-9-13(10-12)18-4-6-21-7-5-18/h2-3,8,12-13,17H,4-7,9-10H2,1H3
InChIKeyPVCUPPCWROQSBZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide (CID 126822199) is 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC(N3CCOCC3)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide?
The InChIKey is PVCUPPCWROQSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-11-8-14(2-3-15(11)16)22(19,20)17-12-9-13(10-12)18-4-6-21-7-5-18/h2-3,8,12-13,17H,4-7,9-10H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 126822199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).