2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide

C11H10ClFN2O2S2 — CID 106030355

IUPAC2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H10ClFN2O2S2/c12-7-1-2-8(13)9(5-7)15-19(16,17)11-3-4-18-10(11)6-14/h1-5,15H,6,14H2
InChIKeyPCCMCGAKDCBXPI-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.80
Rot. Bonds4

About 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide (PubChem CID 106030355) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
PubChem CID106030355
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H10ClFN2O2S2/c12-7-1-2-8(13)9(5-7)15-19(16,17)11-3-4-18-10(11)6-14/h1-5,15H,6,14H2
InChIKeyPCCMCGAKDCBXPI-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

N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
CID 106056025
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421
2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 106057279
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide (CID 106030355) is 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide is NCc1sccc1S(=O)(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide?
The InChIKey is PCCMCGAKDCBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c12-7-1-2-8(13)9(5-7)15-19(16,17)11-3-4-18-10(11)6-14/h1-5,15H,6,14H2.
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide 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 2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).