4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide

C19H24FN3O2S — CID 45377213

IUPAC4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1NC1CCN(C)CC1
InChIInChI=1S/C19H24FN3O2S/c1-14-3-6-17(13-19(14)21-16-9-11-23(2)12-10-16)22-26(24,25)18-7-4-15(20)5-8-18/h3-8,13,16,21-22H,9-12H2,1-2H3
InChIKeyRYIUEQRMQBXLLQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.44
Rot. Bonds5

About 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide

4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 45377213) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID45377213
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1NC1CCN(C)CC1
InChIInChI=1S/C19H24FN3O2S/c1-14-3-6-17(13-19(14)21-16-9-11-23(2)12-10-16)22-26(24,25)18-7-4-15(20)5-8-18/h3-8,13,16,21-22H,9-12H2,1-2H3
InChIKeyRYIUEQRMQBXLLQ-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide (CID 45377213) is 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1NC1CCN(C)CC1.
What is the InChIKey of 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is RYIUEQRMQBXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-14-3-6-17(13-19(14)21-16-9-11-23(2)12-10-16)22-26(24,25)18-7-4-15(20)5-8-18/h3-8,13,16,21-22H,9-12H2,1-2H3.
What are the key properties of 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide?
4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 45377213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).