4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C19H26FN3O6S — CID 2355270

IUPAC4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CC(=O)N1CCOCC1)CC(=O)N1CCOCC1
InChIInChI=1S/C19H26FN3O6S/c1-15-12-16(20)2-3-17(15)30(26,27)23(13-18(24)21-4-8-28-9-5-21)14-19(25)22-6-10-29-11-7-22/h2-3,12H,4-11,13-14H2,1H3
InChIKeyTVRCNUXALOCOEK-UHFFFAOYSA-N
MW443.50 g/mol
LogP-0.16
Rot. Bonds6

About 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2355270) has the molecular formula C19H26FN3O6S and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2355270
Molecular FormulaC19H26FN3O6S
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CC(=O)N1CCOCC1)CC(=O)N1CCOCC1
InChIInChI=1S/C19H26FN3O6S/c1-15-12-16(20)2-3-17(15)30(26,27)23(13-18(24)21-4-8-28-9-5-21)14-19(25)22-6-10-29-11-7-22/h2-3,12H,4-11,13-14H2,1H3
InChIKeyTVRCNUXALOCOEK-UHFFFAOYSA-N
XLogP-0.16
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2355270) is 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(CC(=O)N1CCOCC1)CC(=O)N1CCOCC1.
What is the InChIKey of 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is TVRCNUXALOCOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O6S/c1-15-12-16(20)2-3-17(15)30(26,27)23(13-18(24)21-4-8-28-9-5-21)14-19(25)22-6-10-29-11-7-22/h2-3,12H,4-11,13-14H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 443.50 g/mol, XLogP of -0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2355270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).