N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide

C15H19ClN2O2S2 — CID 112506789

IUPACN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccc(Cl)c2)N(C)C)s1
InChIInChI=1S/C15H19ClN2O2S2/c1-11-7-8-15(21-11)22(19,20)17-10-14(18(2)3)12-5-4-6-13(16)9-12/h4-9,14,17H,10H2,1-3H3
InChIKeyJBLOVENQHMGGET-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 112506789) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID112506789
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccc(Cl)c2)N(C)C)s1
InChIInChI=1S/C15H19ClN2O2S2/c1-11-7-8-15(21-11)22(19,20)17-10-14(18(2)3)12-5-4-6-13(16)9-12/h4-9,14,17H,10H2,1-3H3
InChIKeyJBLOVENQHMGGET-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 112506805
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344702
5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 55353993
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112506792
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 16907069
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112997887

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide (CID 112506789) is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(c2cccc(Cl)c2)N(C)C)s1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is JBLOVENQHMGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-11-7-8-15(21-11)22(19,20)17-10-14(18(2)3)12-5-4-6-13(16)9-12/h4-9,14,17H,10H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 358.92 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 112506789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).