3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide

C14H16FN3O2S — CID 103306559

IUPAC3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ncccc2N)cc(C)c1F
InChIInChI=1S/C14H16FN3O2S/c1-9-6-11(7-10(2)13(9)15)8-18-21(19,20)14-12(16)4-3-5-17-14/h3-7,18H,8,16H2,1-2H3
InChIKeyGPINNFFKMYZALQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.90
Rot. Bonds4

About 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide

3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 103306559) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide
PubChem CID103306559
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ncccc2N)cc(C)c1F
InChIInChI=1S/C14H16FN3O2S/c1-9-6-11(7-10(2)13(9)15)8-18-21(19,20)14-12(16)4-3-5-17-14/h3-7,18H,8,16H2,1-2H3
InChIKeyGPINNFFKMYZALQ-UHFFFAOYSA-N
XLogP1.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Vonoprazan
CID 15981397
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide
CID 842946
N-3-Pyridylbenzenesulfonamide
CID 339079
5-({[(4-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 73054728
5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 74766011
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
2,3,4-trimethyl-N-(3-pyridinyl)benzenesulfonamide
CID 802068

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide (CID 103306559) is 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide is Cc1cc(CNS(=O)(=O)c2ncccc2N)cc(C)c1F.
What is the InChIKey of 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide?
The InChIKey is GPINNFFKMYZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9-6-11(7-10(2)13(9)15)8-18-21(19,20)14-12(16)4-3-5-17-14/h3-7,18H,8,16H2,1-2H3.
What are the key properties of 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide?
3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103306559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).