5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide

C11H9BrClFN2O2S2 — CID 61126366

IUPAC5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C11H9BrClFN2O2S2/c12-10-2-1-7(19-10)5-16-20(17,18)9-4-6(15)3-8(13)11(9)14/h1-4,16H,5,15H2
InChIKeyDWZSTTXRHAHRQG-UHFFFAOYSA-N
MW399.69 g/mol
LogP3.36
Rot. Bonds4

About 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide

5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 61126366) has the molecular formula C11H9BrClFN2O2S2 and a molecular weight of 399.69 g/mol. Its IUPAC name is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide
PubChem CID61126366
Molecular FormulaC11H9BrClFN2O2S2
Molecular Weight399.69 g/mol
Exact Mass397.90
IUPAC Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C11H9BrClFN2O2S2/c12-10-2-1-7(19-10)5-16-20(17,18)9-4-6(15)3-8(13)11(9)14/h1-4,16H,5,15H2
InChIKeyDWZSTTXRHAHRQG-UHFFFAOYSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 1312471
Cyto3C3
CID 2805159
N-(3-chloro-4-fluorophenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 24449392
2-Thiophenesulfonamide, 4-bromo-5-chloro-N-(4-fluorophenyl)-
CID 10317087
N-(4-bromophenyl)-5-chlorothiophene-2-sulfonamide
CID 999243
N-(3-bromophenyl)-5-chlorothiophene-2-sulfonamide
CID 5092210
5-bromo-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 3866970
N-(4-bromo-2-fluorophenyl)-5-chlorothiophene-2-sulfonamide
CID 2100377
N-(2-bromo-4-fluorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3843497
5-bromo-N-[3-chloro-4-(trifluoromethylsulfanyl)phenyl]thiophene-2-sulfonamide
CID 5181787
N-(4-bromo-2-fluorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 17446762
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide (CID 61126366) is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(Br)s2)c1.
What is the InChIKey of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is DWZSTTXRHAHRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2O2S2/c12-10-2-1-7(19-10)5-16-20(17,18)9-4-6(15)3-8(13)11(9)14/h1-4,16H,5,15H2.
What are the key properties of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 399.69 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 61126366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).