N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide

C14H11F2NO3S — CID 169373047

IUPACN-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C=O)ccc(F)c2F)cc1
InChIInChI=1S/C14H11F2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-14-10(8-18)4-7-12(15)13(14)16/h2-8,17H,1H3
InChIKeyBNJXKNUDVWLYRH-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.89
Rot. Bonds4

About N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide

N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169373047) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide
PubChem CID169373047
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC NameN-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C=O)ccc(F)c2F)cc1
InChIInChI=1S/C14H11F2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-14-10(8-18)4-7-12(15)13(14)16/h2-8,17H,1H3
InChIKeyBNJXKNUDVWLYRH-UHFFFAOYSA-N
XLogP2.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-2-formylphenyl)-4-methylbenzenesulfonamide
CID 132509796
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
[2-fluoro-5-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169371107
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704
4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628
[4-formyl-2-[(2S)-2-(methylamino)propanoyl]-3-[(4-methylphenyl)sulfonylamino]phenyl] N,N-dimethylcarbamate
CID 20789962
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide (CID 169373047) is N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C=O)ccc(F)c2F)cc1.
What is the InChIKey of N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is BNJXKNUDVWLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-14-10(8-18)4-7-12(15)13(14)16/h2-8,17H,1H3.
What are the key properties of N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide?
N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 311.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-6-formylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).