N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide

C11H10BrClN2O2S2 — CID 80578169

IUPACN-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNc1ccccc1CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H10BrClN2O2S2/c12-11-8(13)5-10(18-11)19(16,17)15-6-7-3-1-2-4-9(7)14/h1-5,15H,6,14H2
InChIKeyZBLRECXJOOJHHY-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.22
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide

N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide (PubChem CID 80578169) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
PubChem CID80578169
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNc1ccccc1CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H10BrClN2O2S2/c12-11-8(13)5-10(18-11)19(16,17)15-6-7-3-1-2-4-9(7)14/h1-5,15H,6,14H2
InChIKeyZBLRECXJOOJHHY-UHFFFAOYSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.22
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

N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 81090482
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
CID 80578152
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 103858768
5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 103293302
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
5-bromo-4-chloro-N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 80578862
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide (CID 80578169) is N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide is Nc1ccccc1CNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
The InChIKey is ZBLRECXJOOJHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c12-11-8(13)5-10(18-11)19(16,17)15-6-7-3-1-2-4-9(7)14/h1-5,15H,6,14H2.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide?
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80578169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).