5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide

C16H21ClN2O2S2 — CID 55353854

IUPAC5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1
InChIInChI=1S/C16H21ClN2O2S2/c1-4-12-5-7-13(8-6-12)14(19(2)3)11-18-23(20,21)16-10-9-15(17)22-16/h5-10,14,18H,4,11H2,1-3H3
InChIKeyVCKHRWXSKNWLES-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.55
Rot. Bonds7

About 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 55353854) has the molecular formula C16H21ClN2O2S2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID55353854
Molecular FormulaC16H21ClN2O2S2
Molecular Weight372.94 g/mol
Exact Mass372.07
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1
InChIInChI=1S/C16H21ClN2O2S2/c1-4-12-5-7-13(8-6-12)14(19(2)3)11-18-23(20,21)16-10-9-15(17)22-16/h5-10,14,18H,4,11H2,1-3H3
InChIKeyVCKHRWXSKNWLES-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide
CID 7497893
5-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 90558055
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
N-(2-bromo-3-ethylpentyl)-5-chlorothiophene-2-sulfonamide
CID 106288687
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506555
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide
CID 18191926
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 94081615
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide (CID 55353854) is 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide is CCc1ccc(C(CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is VCKHRWXSKNWLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S2/c1-4-12-5-7-13(8-6-12)14(19(2)3)11-18-23(20,21)16-10-9-15(17)22-16/h5-10,14,18H,4,11H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 372.94 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55353854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).