N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C11H12BrN3O2S2 — CID 106075947

IUPACN-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccncc2Br)cs1
InChIInChI=1S/C11H12BrN3O2S2/c1-13-5-8-4-9(7-18-8)19(16,17)15-11-2-3-14-6-10(11)12/h2-4,6-7,13H,5H2,1H3,(H,14,15)
InChIKeyFBCUBYKTMWXJCZ-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.43
Rot. Bonds5

About N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106075947) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106075947
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC NameN-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccncc2Br)cs1
InChIInChI=1S/C11H12BrN3O2S2/c1-13-5-8-4-9(7-18-8)19(16,17)15-11-2-3-14-6-10(11)12/h2-4,6-7,13H,5H2,1H3,(H,14,15)
InChIKeyFBCUBYKTMWXJCZ-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-pyridinyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106075951
N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106075947) is N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccncc2Br)cs1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is FBCUBYKTMWXJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c1-13-5-8-4-9(7-18-8)19(16,17)15-11-2-3-14-6-10(11)12/h2-4,6-7,13H,5H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 2.43, 5 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)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106075947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).