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

C15H19ClN2O2S2 — CID 51339573

IUPAC2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2S2/c1-11-6-7-15(12(16)9-11)22(19,20)17-10-13(18(2)3)14-5-4-8-21-14/h4-9,13,17H,10H2,1-3H3
InChIKeyXULIKCHPJBBFLM-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.29
Rot. Bonds6

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

2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide (PubChem CID 51339573) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
PubChem CID51339573
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2S2/c1-11-6-7-15(12(16)9-11)22(19,20)17-10-13(18(2)3)14-5-4-8-21-14/h4-9,13,17H,10H2,1-3H3
InChIKeyXULIKCHPJBBFLM-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-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
CID 134002347
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621531
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112503228
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
CID 112503236
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide (CID 51339573) is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide?
The InChIKey is XULIKCHPJBBFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-11-6-7-15(12(16)9-11)22(19,20)17-10-13(18(2)3)14-5-4-8-21-14/h4-9,13,17H,10H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide?
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-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 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51339573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).