N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide

C12H14BrN3O2S2 — CID 106076005

IUPACN-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C12H14BrN3O2S2/c1-2-14-6-9-5-12(19-8-9)20(17,18)16-11-3-4-15-7-10(11)13/h3-5,7-8,14H,2,6H2,1H3,(H,15,16)
InChIKeyRQOOZGTWCOSDAS-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.82
Rot. Bonds6

About N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide

N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106076005) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106076005
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC NameN-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C12H14BrN3O2S2/c1-2-14-6-9-5-12(19-8-9)20(17,18)16-11-3-4-15-7-10(11)13/h3-5,7-8,14H,2,6H2,1H3,(H,15,16)
InChIKeyRQOOZGTWCOSDAS-UHFFFAOYSA-N
XLogP2.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106067102
4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 106018431
N-(3-bromo-4-pyridinyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106075951
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 106056783
4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106069682

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106076005) is N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)Nc2ccncc2Br)c1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is RQOOZGTWCOSDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-2-14-6-9-5-12(19-8-9)20(17,18)16-11-3-4-15-7-10(11)13/h3-5,7-8,14H,2,6H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106076005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).