2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide

C13H16BrN3O2S2 — CID 62158602

IUPAC2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1cc(C(C)NS(=O)(=O)c2cc(Br)cnc2N)c(C)s1
InChIInChI=1S/C13H16BrN3O2S2/c1-7-4-11(9(3)20-7)8(2)17-21(18,19)12-5-10(14)6-16-13(12)15/h4-6,8,17H,1-3H3,(H2,15,16)
InChIKeyNCNWCJGHGUSOPD-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.14
Rot. Bonds4

About 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 62158602) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID62158602
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1cc(C(C)NS(=O)(=O)c2cc(Br)cnc2N)c(C)s1
InChIInChI=1S/C13H16BrN3O2S2/c1-7-4-11(9(3)20-7)8(2)17-21(18,19)12-5-10(14)6-16-13(12)15/h4-6,8,17H,1-3H3,(H2,15,16)
InChIKeyNCNWCJGHGUSOPD-UHFFFAOYSA-N
XLogP3.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 115748656
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N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158246
2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
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N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide
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2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
CID 62153864
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 172842404
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide (CID 62158602) is 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide is Cc1cc(C(C)NS(=O)(=O)c2cc(Br)cnc2N)c(C)s1.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is NCNWCJGHGUSOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-7-4-11(9(3)20-7)8(2)17-21(18,19)12-5-10(14)6-16-13(12)15/h4-6,8,17H,1-3H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62158602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).