N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C13H17ClN2O2S3 — CID 106003829

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1C
InChIInChI=1S/C13H17ClN2O2S3/c1-8-6-13(20-11(8)7-15-3)21(17,18)16-9(2)10-4-5-12(14)19-10/h4-6,9,15-16H,7H2,1-3H3
InChIKeyVGJVODNTXDGPMK-UHFFFAOYSA-N
MW364.95 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106003829) has the molecular formula C13H17ClN2O2S3 and a molecular weight of 364.95 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106003829
Molecular FormulaC13H17ClN2O2S3
Molecular Weight364.95 g/mol
Exact Mass364.01
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1C
InChIInChI=1S/C13H17ClN2O2S3/c1-8-6-13(20-11(8)7-15-3)21(17,18)16-9(2)10-4-5-12(14)19-10/h4-6,9,15-16H,7H2,1-3H3
InChIKeyVGJVODNTXDGPMK-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.95
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
N-(1-ethoxypropan-2-yl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106054220
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
CID 61468769
N-(5-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031146
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421448
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106057338
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106003829) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1C.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VGJVODNTXDGPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S3/c1-8-6-13(20-11(8)7-15-3)21(17,18)16-9(2)10-4-5-12(14)19-10/h4-6,9,15-16H,7H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 364.95 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106003829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).