N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide

C11H10BrClN2O2S2 — CID 80578152

IUPACN-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(c1ccccc1N)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H10BrClN2O2S2/c1-15(9-5-3-2-4-8(9)14)19(16,17)10-6-7(13)11(12)18-10/h2-6H,14H2,1H3
InChIKeyVHBXOMFBEHRMGD-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.57
Rot. Bonds3

About N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide

N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide (PubChem CID 80578152) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
PubChem CID80578152
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC NameN-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
SMILESCN(c1ccccc1N)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H10BrClN2O2S2/c1-15(9-5-3-2-4-8(9)14)19(16,17)10-6-7(13)11(12)18-10/h2-6H,14H2,1H3
InChIKeyVHBXOMFBEHRMGD-UHFFFAOYSA-N
XLogP3.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 80577082
N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
CID 106605035
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
CID 107465906
N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103413922
N-(4-aminophenyl)-5-bromo-4-chloro-N-propylthiophene-2-sulfonamide
CID 80576694
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
5-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 115967789
5-bromo-4-chloro-N-(2-chloroethyl)-N-propylthiophene-2-sulfonamide
CID 80578653
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 81090482
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 80577302

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide (CID 80578152) is N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide is CN(c1ccccc1N)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide?
The InChIKey is VHBXOMFBEHRMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c1-15(9-5-3-2-4-8(9)14)19(16,17)10-6-7(13)11(12)18-10/h2-6H,14H2,1H3.
What are the key properties of N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide?
N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 80578152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).