5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide

C13H15BrN2O4S3 — CID 24581138

IUPAC5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(Br)c2)s1
InChIInChI=1S/C13H15BrN2O4S3/c1-16(2)23(19,20)13-7-6-11(21-13)9-15-22(17,18)12-5-3-4-10(14)8-12/h3-8,15H,9H2,1-2H3
InChIKeyVCHVLDIHLYGXRQ-UHFFFAOYSA-N
MW439.38 g/mol
LogP2.24
Rot. Bonds6

About 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 24581138) has the molecular formula C13H15BrN2O4S3 and a molecular weight of 439.38 g/mol. Its IUPAC name is 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID24581138
Molecular FormulaC13H15BrN2O4S3
Molecular Weight439.38 g/mol
Exact Mass437.94
IUPAC Name5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(Br)c2)s1
InChIInChI=1S/C13H15BrN2O4S3/c1-16(2)23(19,20)13-7-6-11(21-13)9-15-22(17,18)12-5-3-4-10(14)8-12/h3-8,15H,9H2,1-2H3
InChIKeyVCHVLDIHLYGXRQ-UHFFFAOYSA-N
XLogP2.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
5-bromo-2-chloro-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]pyridine-3-sulfonamide
CID 55904903
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
CID 47204563
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide
CID 60697674

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 24581138) is 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(Br)c2)s1.
What is the InChIKey of 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is VCHVLDIHLYGXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4S3/c1-16(2)23(19,20)13-7-6-11(21-13)9-15-22(17,18)12-5-3-4-10(14)8-12/h3-8,15H,9H2,1-2H3.
What are the key properties of 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 439.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 24581138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).