5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 79939263

IUPAC5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccnc1CNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-8-4-3-5-14-10(8)7-15-19(16,17)11-6-9(2)12(13)18-11/h3-6,15H,7H2,1-2H3
InChIKeyZPUUUASHVRMZAW-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.00
Rot. Bonds4

About 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 79939263) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID79939263
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccnc1CNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-8-4-3-5-14-10(8)7-15-19(16,17)11-6-9(2)12(13)18-11/h3-6,15H,7H2,1-2H3
InChIKeyZPUUUASHVRMZAW-UHFFFAOYSA-N
XLogP3.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 79939163
2-bromo-4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63308971
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 113252435
5-amino-4-bromo-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 116530328
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106065592
5-bromo-4-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-sulfonamide
CID 79923088
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide (CID 79939263) is 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide is Cc1cccnc1CNS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZPUUUASHVRMZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-8-4-3-5-14-10(8)7-15-19(16,17)11-6-9(2)12(13)18-11/h3-6,15H,7H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79939263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).