3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide

C11H10ClFN4O2S — CID 106088755

IUPAC3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cncnc2)cc(F)c1Cl
InChIInChI=1S/C11H10ClFN4O2S/c12-11-7(3-14)1-9(2-10(11)13)20(18,19)17-8-4-15-6-16-5-8/h1-2,4-6,17H,3,14H2
InChIKeyQXABHZYWTZJGHS-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.53
Rot. Bonds4

About 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide

3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 106088755) has the molecular formula C11H10ClFN4O2S and a molecular weight of 316.75 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID106088755
Molecular FormulaC11H10ClFN4O2S
Molecular Weight316.75 g/mol
Exact Mass316.02
IUPAC Name3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cncnc2)cc(F)c1Cl
InChIInChI=1S/C11H10ClFN4O2S/c12-11-7(3-14)1-9(2-10(11)13)20(18,19)17-8-4-15-6-16-5-8/h1-2,4-6,17H,3,14H2
InChIKeyQXABHZYWTZJGHS-UHFFFAOYSA-N
XLogP1.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 106070126
3-(aminomethyl)-N-(3-bromophenyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106061634
3-(aminomethyl)-4-chloro-N-(2,2-difluoroethyl)-5-fluorobenzenesulfonamide
CID 115409156
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-fluoroethyl)benzenesulfonamide
CID 114267220
3-(aminomethyl)-4-chloro-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81458602
3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
CID 81456909
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235
3-(aminomethyl)-4-chloro-5-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106032224
3-(aminomethyl)-4-chloro-N-(cyclopropylmethyl)-5-fluorobenzenesulfonamide
CID 81457460
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018152
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031569
3-(aminomethyl)-4-chloro-5-fluoro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81457016

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide (CID 106088755) is 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide is NCc1cc(S(=O)(=O)Nc2cncnc2)cc(F)c1Cl.
What is the InChIKey of 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is QXABHZYWTZJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2S/c12-11-7(3-14)1-9(2-10(11)13)20(18,19)17-8-4-15-6-16-5-8/h1-2,4-6,17H,3,14H2.
What are the key properties of 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide?
3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 316.75 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 106088755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).