5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C10H12BrN3O2S2 — CID 22771399

IUPAC5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S2/c1-13-6-8(5-12-13)7-14(2)18(15,16)10-4-3-9(11)17-10/h3-6H,7H2,1-2H3
InChIKeyJQKHBFHVMJILMQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.06
Rot. Bonds4

About 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22771399) has the molecular formula C10H12BrN3O2S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID22771399
Molecular FormulaC10H12BrN3O2S2
Molecular Weight350.26 g/mol
Exact Mass348.96
IUPAC Name5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S2/c1-13-6-8(5-12-13)7-14(2)18(15,16)10-4-3-9(11)17-10/h3-6H,7H2,1-2H3
InChIKeyJQKHBFHVMJILMQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794973
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
4-bromo-3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103697227
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 60681316
2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63944818
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 17371538
4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39623413
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
CID 43458476
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 22771399) is 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JQKHBFHVMJILMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S2/c1-13-6-8(5-12-13)7-14(2)18(15,16)10-4-3-9(11)17-10/h3-6H,7H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 350.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22771399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).