N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

C12H14BrN3O2S2 — CID 103305490

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C12H14BrN3O2S2/c1-14-10-4-3-5-15-12(10)20(17,18)16(2)7-9-6-11(13)19-8-9/h3-6,8,14H,7H2,1-2H3
InChIKeyCRPUUNVYBKLWAG-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.77
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305490) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305490
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C12H14BrN3O2S2/c1-14-10-4-3-5-15-12(10)20(17,18)16(2)7-9-6-11(13)19-8-9/h3-6,8,14H,7H2,1-2H3
InChIKeyCRPUUNVYBKLWAG-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595
N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305406
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 54987200
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 61395259
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 55174854
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 54982582
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171374
N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
CID 103300825

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide (CID 103305490) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is CRPUUNVYBKLWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-14-10-4-3-5-15-12(10)20(17,18)16(2)7-9-6-11(13)19-8-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).