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

C14H17BrN2O4S3 — CID 2206115

IUPAC5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H17BrN2O4S3/c1-3-17(4-2)24(20,21)12-7-5-11(6-8-12)16-23(18,19)14-10-9-13(15)22-14/h5-10,16H,3-4H2,1-2H3
InChIKeyMTBIPUBEWXYHFZ-UHFFFAOYSA-N
MW453.41 g/mol
LogP3.34
Rot. Bonds7

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

5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2206115) has the molecular formula C14H17BrN2O4S3 and a molecular weight of 453.41 g/mol. Its IUPAC name is 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID2206115
Molecular FormulaC14H17BrN2O4S3
Molecular Weight453.41 g/mol
Exact Mass451.95
IUPAC Name5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H17BrN2O4S3/c1-3-17(4-2)24(20,21)12-7-5-11(6-8-12)16-23(18,19)14-10-9-13(15)22-14/h5-10,16H,3-4H2,1-2H3
InChIKeyMTBIPUBEWXYHFZ-UHFFFAOYSA-N
XLogP3.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1006732
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 2206115) is 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MTBIPUBEWXYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4S3/c1-3-17(4-2)24(20,21)12-7-5-11(6-8-12)16-23(18,19)14-10-9-13(15)22-14/h5-10,16H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 453.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2206115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).