2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide

C10H12BrN5O2S2 — CID 106082017

IUPAC2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nccnn2)c(Br)s1
InChIInChI=1S/C10H12BrN5O2S2/c1-2-12-6-7-5-8(9(11)19-7)20(17,18)16-10-13-3-4-14-15-10/h3-5,12H,2,6H2,1H3,(H,13,15,16)
InChIKeyMXMQISOFSOQLNL-UHFFFAOYSA-N
MW378.28 g/mol
LogP1.61
Rot. Bonds6

About 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide (PubChem CID 106082017) has the molecular formula C10H12BrN5O2S2 and a molecular weight of 378.28 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
PubChem CID106082017
Molecular FormulaC10H12BrN5O2S2
Molecular Weight378.28 g/mol
Exact Mass376.96
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nccnn2)c(Br)s1
InChIInChI=1S/C10H12BrN5O2S2/c1-2-12-6-7-5-8(9(11)19-7)20(17,18)16-10-13-3-4-14-15-10/h3-5,12H,2,6H2,1H3,(H,13,15,16)
InChIKeyMXMQISOFSOQLNL-UHFFFAOYSA-N
XLogP1.61
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 114389150
2-bromo-5-(ethylaminomethyl)-N-(3-fluoropropyl)thiophene-3-sulfonamide
CID 114267253
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106080012
2-bromo-5-(ethylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283745
2-bromo-N-[1-(dimethylamino)propan-2-yl]-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106074422
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
2-bromo-5-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015443
2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389146
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide
CID 106091004
2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106050019
2-bromo-N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106071064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide (CID 106082017) is 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2nccnn2)c(Br)s1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is MXMQISOFSOQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2S2/c1-2-12-6-7-5-8(9(11)19-7)20(17,18)16-10-13-3-4-14-15-10/h3-5,12H,2,6H2,1H3,(H,13,15,16).
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 378.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106082017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).