4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

C19H23F2N3O4S — CID 42602834

IUPAC4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)F)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H23F2N3O4S/c1-23-9-11-24(12-10-23)17-13-14(3-8-18(17)27-2)22-29(25,26)16-6-4-15(5-7-16)28-19(20)21/h3-8,13,19,22H,9-12H2,1-2H3
InChIKeyFRAYZRIMQVZJAQ-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.85
Rot. Bonds7

About 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 42602834) has the molecular formula C19H23F2N3O4S and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID42602834
Molecular FormulaC19H23F2N3O4S
Molecular Weight427.47 g/mol
Exact Mass427.14
IUPAC Name4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)F)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H23F2N3O4S/c1-23-9-11-24(12-10-23)17-13-14(3-8-18(17)27-2)22-29(25,26)16-6-4-15(5-7-16)28-19(20)21/h3-8,13,19,22H,9-12H2,1-2H3
InChIKeyFRAYZRIMQVZJAQ-UHFFFAOYSA-N
XLogP2.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 42602834) is 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(F)F)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FRAYZRIMQVZJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4S/c1-23-9-11-24(12-10-23)17-13-14(3-8-18(17)27-2)22-29(25,26)16-6-4-15(5-7-16)28-19(20)21/h3-8,13,19,22H,9-12H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 427.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 42602834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).