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

C11H10ClFN2O2S2 — CID 106070126

IUPAC3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccsc2)cc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O2S2/c12-11-7(5-14)3-9(4-10(11)13)19(16,17)15-8-1-2-18-6-8/h1-4,6,15H,5,14H2
InChIKeyDOVUEWHQKMXPIA-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.80
Rot. Bonds4

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

3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 106070126) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID106070126
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccsc2)cc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O2S2/c12-11-7(5-14)3-9(4-10(11)13)19(16,17)15-8-1-2-18-6-8/h1-4,6,15H,5,14H2
InChIKeyDOVUEWHQKMXPIA-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088755
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-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81452712
3-(aminomethyl)-4-chloro-N-(cyclopropylmethyl)-5-fluorobenzenesulfonamide
CID 81457460
3-(aminomethyl)-4-chloro-5-fluoro-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072258
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)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
CID 106069936

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide (CID 106070126) is 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide is NCc1cc(S(=O)(=O)Nc2ccsc2)cc(F)c1Cl.
What is the InChIKey of 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is DOVUEWHQKMXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c12-11-7(5-14)3-9(4-10(11)13)19(16,17)15-8-1-2-18-6-8/h1-4,6,15H,5,14H2.
What are the key properties of 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 106070126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).