3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide

C11H7BrClF2NO3S2 — CID 61063464

IUPAC3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1sccc1Br
InChIInChI=1S/C11H7BrClF2NO3S2/c12-7-3-4-20-10(7)21(17,18)16-6-1-2-9(8(13)5-6)19-11(14)15/h1-5,11,16H
InChIKeyNNDIICJQVDRHQN-UHFFFAOYSA-N
MW418.67 g/mol
LogP4.57
Rot. Bonds5

About 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide

3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 61063464) has the molecular formula C11H7BrClF2NO3S2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID61063464
Molecular FormulaC11H7BrClF2NO3S2
Molecular Weight418.67 g/mol
Exact Mass416.87
IUPAC Name3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1sccc1Br
InChIInChI=1S/C11H7BrClF2NO3S2/c12-7-3-4-20-10(7)21(17,18)16-6-1-2-9(8(13)5-6)19-11(14)15/h1-5,11,16H
InChIKeyNNDIICJQVDRHQN-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.67
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[3-chloro-4-(difluoromethoxy)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

3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 2466269
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46576758

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 61063464) is 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is NNDIICJQVDRHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2NO3S2/c12-7-3-4-20-10(7)21(17,18)16-6-1-2-9(8(13)5-6)19-11(14)15/h1-5,11,16H.
What are the key properties of 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 418.67 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61063464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).