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

C16H22ClN3O2S2 — CID 7497893

IUPAC5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1
InChIInChI=1S/C16H22ClN3O2S2/c1-19(2)13-7-5-12(6-8-13)14(20(3)4)11-18-24(21,22)16-10-9-15(17)23-16/h5-10,14,18H,11H2,1-4H3/t14-/m1/s1
InChIKeyDBPXMNQTLLXLIW-CQSZACIVSA-N
MW387.96 g/mol
LogP3.05
Rot. Bonds7

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

5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide (PubChem CID 7497893) has the molecular formula C16H22ClN3O2S2 and a molecular weight of 387.96 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide
PubChem CID7497893
Molecular FormulaC16H22ClN3O2S2
Molecular Weight387.96 g/mol
Exact Mass387.08
IUPAC Name5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1
InChIInChI=1S/C16H22ClN3O2S2/c1-19(2)13-7-5-12(6-8-13)14(20(3)4)11-18-24(21,22)16-10-9-15(17)23-16/h5-10,14,18H,11H2,1-4H3/t14-/m1/s1
InChIKeyDBPXMNQTLLXLIW-CQSZACIVSA-N
XLogP3.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide
CID 55353854
5-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 90558055
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
5-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide
CID 26792369
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 20962689
5-chloro-N-[(2S,3S)-1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66930087
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]prop-2-yne-1-sulfonamide
CID 7497946
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide (CID 7497893) is 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide is CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide?
The InChIKey is DBPXMNQTLLXLIW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClN3O2S2/c1-19(2)13-7-5-12(6-8-13)14(20(3)4)11-18-24(21,22)16-10-9-15(17)23-16/h5-10,14,18H,11H2,1-4H3/t14-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide has a molecular weight of 387.96 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).