N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide

C13H16BrN3O2S2 — CID 106049801

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C13H16BrN3O2S2/c1-2-15-13-6-4-11(9-16-13)21(18,19)17-8-7-10-3-5-12(14)20-10/h3-6,9,17H,2,7-8H2,1H3,(H,15,16)
InChIKeyHLQXIVFGBJUNFD-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide

N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 106049801) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID106049801
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C13H16BrN3O2S2/c1-2-15-13-6-4-11(9-16-13)21(18,19)17-8-7-10-3-5-12(14)20-10/h3-6,9,17H,2,7-8H2,1H3,(H,15,16)
InChIKeyHLQXIVFGBJUNFD-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 106049811
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
N-(5-bromo-1,3-thiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62147032
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62150157
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide (CID 106049801) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCCc2ccc(Br)s2)cn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is HLQXIVFGBJUNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-2-15-13-6-4-11(9-16-13)21(18,19)17-8-7-10-3-5-12(14)20-10/h3-6,9,17H,2,7-8H2,1H3,(H,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 106049801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).