4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide

C13H13BrN2O4S2 — CID 24542625

IUPAC4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H13BrN2O4S2/c1-16(20-2)13(17)9-3-5-10(6-4-9)15-22(18,19)12-8-7-11(14)21-12/h3-8,15H,1-2H3
InChIKeyQWISHFDRYALMJT-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.94
Rot. Bonds5

About 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide

4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide (PubChem CID 24542625) has the molecular formula C13H13BrN2O4S2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
PubChem CID24542625
Molecular FormulaC13H13BrN2O4S2
Molecular Weight405.30 g/mol
Exact Mass403.95
IUPAC Name4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H13BrN2O4S2/c1-16(20-2)13(17)9-3-5-10(6-4-9)15-22(18,19)12-8-7-11(14)21-12/h3-8,15H,1-2H3
InChIKeyQWISHFDRYALMJT-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
methyl 3-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylbenzoate
CID 1006764
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 41172425
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide (CID 24542625) is 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide?
The InChIKey is QWISHFDRYALMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S2/c1-16(20-2)13(17)9-3-5-10(6-4-9)15-22(18,19)12-8-7-11(14)21-12/h3-8,15H,1-2H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide?
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide has a molecular weight of 405.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 24542625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).