2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride

C10H7BrClNO4S3 — CID 16773980

IUPAC2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1Br
InChIInChI=1S/C10H7BrClNO4S3/c11-8-6-7(3-4-9(8)19(12,14)15)13-20(16,17)10-2-1-5-18-10/h1-6,13H
InChIKeyBQJMQOBQFABBSM-UHFFFAOYSA-N
MW416.73 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride

2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride (PubChem CID 16773980) has the molecular formula C10H7BrClNO4S3 and a molecular weight of 416.73 g/mol. Its IUPAC name is 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
PubChem CID16773980
Molecular FormulaC10H7BrClNO4S3
Molecular Weight416.73 g/mol
Exact Mass414.84
IUPAC Name2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1Br
InChIInChI=1S/C10H7BrClNO4S3/c11-8-6-7(3-4-9(8)19(12,14)15)13-20(16,17)10-2-1-5-18-10/h1-6,13H
InChIKeyBQJMQOBQFABBSM-UHFFFAOYSA-N
XLogP3.24
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride
CID 43823049
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride (CID 16773980) is 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1Br.
What is the InChIKey of 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is BQJMQOBQFABBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO4S3/c11-8-6-7(3-4-9(8)19(12,14)15)13-20(16,17)10-2-1-5-18-10/h1-6,13H.
What are the key properties of 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 416.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 16773980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).