5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide

C17H20N2O4S3 — CID 24581155

IUPAC5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3CC2)s1
InChIInChI=1S/C17H20N2O4S3/c1-19(2)26(22,23)17-10-8-15(24-17)12-18-25(20,21)16-9-7-13-5-3-4-6-14(13)11-16/h3-6,8,10-11,18H,7,9,12H2,1-2H3
InChIKeyVHWZQJJEIFPANN-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.41
Rot. Bonds6

About 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 24581155) has the molecular formula C17H20N2O4S3 and a molecular weight of 412.56 g/mol. Its IUPAC name is 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID24581155
Molecular FormulaC17H20N2O4S3
Molecular Weight412.56 g/mol
Exact Mass412.06
IUPAC Name5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3CC2)s1
InChIInChI=1S/C17H20N2O4S3/c1-19(2)26(22,23)17-10-8-15(24-17)12-18-25(20,21)16-9-7-13-5-3-4-6-14(13)11-16/h3-6,8,10-11,18H,7,9,12H2,1-2H3
InChIKeyVHWZQJJEIFPANN-UHFFFAOYSA-N
XLogP2.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 51249518
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581138
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16581972
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16575083
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162
5-bromo-2-chloro-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]pyridine-3-sulfonamide
CID 55904903
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea
CID 47085315

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 24581155) is 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3CC2)s1.
What is the InChIKey of 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is VHWZQJJEIFPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S3/c1-19(2)26(22,23)17-10-8-15(24-17)12-18-25(20,21)16-9-7-13-5-3-4-6-14(13)11-16/h3-6,8,10-11,18H,7,9,12H2,1-2H3.
What are the key properties of 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 412.56 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 24581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).