3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide

C14H14FNO4S2 — CID 60532718

IUPAC3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C14H14FNO4S2/c1-10-3-6-13(9-14(10)15)22(19,20)16-11-4-7-12(8-5-11)21(2,17)18/h3-9,16H,1-2H3
InChIKeyCTHOVIDXPFMIAP-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.34
Rot. Bonds4

About 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide

3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide (PubChem CID 60532718) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
PubChem CID60532718
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Name3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C14H14FNO4S2/c1-10-3-6-13(9-14(10)15)22(19,20)16-11-4-7-12(8-5-11)21(2,17)18/h3-9,16H,1-2H3
InChIKeyCTHOVIDXPFMIAP-UHFFFAOYSA-N
XLogP2.34
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide (CID 60532718) is 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The InChIKey is CTHOVIDXPFMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c1-10-3-6-13(9-14(10)15)22(19,20)16-11-4-7-12(8-5-11)21(2,17)18/h3-9,16H,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide?
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide has a molecular weight of 343.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 60532718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).