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

C11H12BrN3O2S2 — CID 106076061

IUPACN-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C11H12BrN3O2S2/c1-13-5-8-4-11(18-7-8)19(16,17)15-10-2-3-14-6-9(10)12/h2-4,6-7,13H,5H2,1H3,(H,14,15)
InChIKeySHPGAAUIOKVTPD-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.43
Rot. Bonds5

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

N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106076061) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106076061
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC NameN-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C11H12BrN3O2S2/c1-13-5-8-4-11(18-7-8)19(16,17)15-10-2-3-14-6-9(10)12/h2-4,6-7,13H,5H2,1H3,(H,14,15)
InChIKeySHPGAAUIOKVTPD-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)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106072964
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003238
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106076061) is N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2ccncc2Br)c1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is SHPGAAUIOKVTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c1-13-5-8-4-11(18-7-8)19(16,17)15-10-2-3-14-6-9(10)12/h2-4,6-7,13H,5H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-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)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106076061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).