5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide

C13H15BrN2O3S2 — CID 112981010

IUPAC5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H15BrN2O3S2/c1-19-9-8-15-10-2-4-11(5-3-10)16-21(17,18)13-7-6-12(14)20-13/h2-7,15-16H,8-9H2,1H3
InChIKeyYGGBAWUIEHCWQR-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.37
Rot. Bonds7

About 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 112981010) has the molecular formula C13H15BrN2O3S2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
PubChem CID112981010
Molecular FormulaC13H15BrN2O3S2
Molecular Weight391.31 g/mol
Exact Mass389.97
IUPAC Name5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H15BrN2O3S2/c1-19-9-8-15-10-2-4-11(5-3-10)16-21(17,18)13-7-6-12(14)20-13/h2-7,15-16H,8-9H2,1H3
InChIKeyYGGBAWUIEHCWQR-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010432
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
1-[4-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062148
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide (CID 112981010) is 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is YGGBAWUIEHCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S2/c1-19-9-8-15-10-2-4-11(5-3-10)16-21(17,18)13-7-6-12(14)20-13/h2-7,15-16H,8-9H2,1H3.
What are the key properties of 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 391.31 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112981010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).