4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide

C14H17BrN2O2S2 — CID 43780736

IUPAC4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1)c1sccc1Br
InChIInChI=1S/C14H17BrN2O2S2/c1-10(14-13(15)8-9-20-14)16-11-4-6-12(7-5-11)21(18,19)17(2)3/h4-10,16H,1-3H3
InChIKeyXNRDKLYJNLYHRA-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.93
Rot. Bonds5

About 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide

4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43780736) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID43780736
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC Name4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1)c1sccc1Br
InChIInChI=1S/C14H17BrN2O2S2/c1-10(14-13(15)8-9-20-14)16-11-4-6-12(7-5-11)21(18,19)17(2)3/h4-10,16H,1-3H3
InChIKeyXNRDKLYJNLYHRA-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 43780736) is 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide is CC(Nc1ccc(S(=O)(=O)N(C)C)cc1)c1sccc1Br.
What is the InChIKey of 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XNRDKLYJNLYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-10(14-13(15)8-9-20-14)16-11-4-6-12(7-5-11)21(18,19)17(2)3/h4-10,16H,1-3H3.
What are the key properties of 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide?
4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43780736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).