4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H14FNO2S2 — CID 47148979

IUPAC4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C13H14FNO2S2/c1-10-8-11(14)5-6-13(10)19(16,17)15(2)9-12-4-3-7-18-12/h3-8H,9H2,1-2H3
InChIKeyCAZYZVVBPLQFJV-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.02
Rot. Bonds4

About 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 47148979) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID47148979
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC Name4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C13H14FNO2S2/c1-10-8-11(14)5-6-13(10)19(16,17)15(2)9-12-4-3-7-18-12/h3-8H,9H2,1-2H3
InChIKeyCAZYZVVBPLQFJV-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
5-(aminomethyl)-2,3-difluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 105119593
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527306
4-fluoro-N,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 113095871
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190
2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 134002504
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 47148979) is 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1cccs1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is CAZYZVVBPLQFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-10-8-11(14)5-6-13(10)19(16,17)15(2)9-12-4-3-7-18-12/h3-8H,9H2,1-2H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47148979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).