5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide

C11H13ClN2O4S4 — CID 24581133

IUPAC5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C11H13ClN2O4S4/c1-14(2)22(17,18)11-5-3-8(19-11)7-13-21(15,16)10-6-4-9(12)20-10/h3-6,13H,7H2,1-2H3
InChIKeyVDTQWDNXAWTVSC-UHFFFAOYSA-N
MW400.96 g/mol
LogP2.19
Rot. Bonds6

About 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 24581133) has the molecular formula C11H13ClN2O4S4 and a molecular weight of 400.96 g/mol. Its IUPAC name is 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID24581133
Molecular FormulaC11H13ClN2O4S4
Molecular Weight400.96 g/mol
Exact Mass399.94
IUPAC Name5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C11H13ClN2O4S4/c1-14(2)22(17,18)11-5-3-8(19-11)7-13-21(15,16)10-6-4-9(12)20-10/h3-6,13H,7H2,1-2H3
InChIKeyVDTQWDNXAWTVSC-UHFFFAOYSA-N
XLogP2.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.96
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
5-bromo-2-chloro-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]pyridine-3-sulfonamide
CID 55904903
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581151
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581138
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 24581133) is 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)s1.
What is the InChIKey of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is VDTQWDNXAWTVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S4/c1-14(2)22(17,18)11-5-3-8(19-11)7-13-21(15,16)10-6-4-9(12)20-10/h3-6,13H,7H2,1-2H3.
What are the key properties of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 400.96 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 24581133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).