2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

C18H21F2N3O3S — CID 174398149

IUPAC2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1N1CCN(C)CC1
InChIInChI=1S/C18H21F2N3O3S/c1-22-7-9-23(10-8-22)16-12-14(4-6-17(16)26-2)21-27(24,25)18-11-13(19)3-5-15(18)20/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyFTUDLDROSNMFCD-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.53
Rot. Bonds5

About 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 174398149) has the molecular formula C18H21F2N3O3S and a molecular weight of 397.45 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID174398149
Molecular FormulaC18H21F2N3O3S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1N1CCN(C)CC1
InChIInChI=1S/C18H21F2N3O3S/c1-22-7-9-23(10-8-22)16-12-14(4-6-17(16)26-2)21-27(24,25)18-11-13(19)3-5-15(18)20/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyFTUDLDROSNMFCD-UHFFFAOYSA-N
XLogP2.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
CID 18180082
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
2,5-difluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595993
4-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636429
2,5-difluoro-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 67556030
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 174398149) is 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1N1CCN(C)CC1.
What is the InChIKey of 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FTUDLDROSNMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3S/c1-22-7-9-23(10-8-22)16-12-14(4-6-17(16)26-2)21-27(24,25)18-11-13(19)3-5-15(18)20/h3-6,11-12,21H,7-10H2,1-2H3.
What are the key properties of 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 397.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 174398149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).