N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide

C19H17FN2O4S2 — CID 19431161

IUPACN-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17FN2O4S2/c1-14-12-17(20)19(22-28(25,26)16-10-6-3-7-11-16)13-18(14)21-27(23,24)15-8-4-2-5-9-15/h2-13,21-22H,1H3
InChIKeyJQXRHOUEHSCIDH-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.74
Rot. Bonds6

About N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide

N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide (PubChem CID 19431161) has the molecular formula C19H17FN2O4S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
PubChem CID19431161
Molecular FormulaC19H17FN2O4S2
Molecular Weight420.49 g/mol
Exact Mass420.06
IUPAC NameN-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17FN2O4S2/c1-14-12-17(20)19(22-28(25,26)16-10-6-3-7-11-16)13-18(14)21-27(23,24)15-8-4-2-5-9-15/h2-13,21-22H,1H3
InChIKeyJQXRHOUEHSCIDH-UHFFFAOYSA-N
XLogP3.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide?
The IUPAC name of N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide (CID 19431161) is N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide is Cc1cc(F)c(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide?
The InChIKey is JQXRHOUEHSCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S2/c1-14-12-17(20)19(22-28(25,26)16-10-6-3-7-11-16)13-18(14)21-27(23,24)15-8-4-2-5-9-15/h2-13,21-22H,1H3.
What are the key properties of N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide?
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 19431161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).