4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

C15H19ClN2O2S2 — CID 47031514

IUPAC4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C15H19ClN2O2S2/c1-11-8-13(16)4-5-15(11)22(19,20)17-9-14(18(2)3)12-6-7-21-10-12/h4-8,10,14,17H,9H2,1-3H3
InChIKeyMJAIOZPXOIZASJ-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.29
Rot. Bonds6

About 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide (PubChem CID 47031514) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
PubChem CID47031514
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C15H19ClN2O2S2/c1-11-8-13(16)4-5-15(11)22(19,20)17-9-14(18(2)3)12-6-7-21-10-12/h4-8,10,14,17H,9H2,1-3H3
InChIKeyMJAIOZPXOIZASJ-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-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 16932779
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860733
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860728
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 40860865
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932884
N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide (CID 47031514) is 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The InChIKey is MJAIOZPXOIZASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-11-8-13(16)4-5-15(11)22(19,20)17-9-14(18(2)3)12-6-7-21-10-12/h4-8,10,14,17H,9H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide 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 4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 47031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).