5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C13H18BrN3O2S2 — CID 46353490

IUPAC5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H18BrN3O2S2/c1-9-11(10(2)17(4)15-9)7-8-16(3)21(18,19)13-6-5-12(14)20-13/h5-6H,7-8H2,1-4H3
InChIKeyJCCNBJQWGMZVAH-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.72
Rot. Bonds5

About 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 46353490) has the molecular formula C13H18BrN3O2S2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID46353490
Molecular FormulaC13H18BrN3O2S2
Molecular Weight392.34 g/mol
Exact Mass391.00
IUPAC Name5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H18BrN3O2S2/c1-9-11(10(2)17(4)15-9)7-8-16(3)21(18,19)13-6-5-12(14)20-13/h5-6H,7-8H2,1-4H3
InChIKeyJCCNBJQWGMZVAH-UHFFFAOYSA-N
XLogP2.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353456
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 46353462
4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353522
N,N-diethyl-5-[2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-sulfonamide
CID 119122085
N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 46353506
4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805
1-(5-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60743790
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
1-(5-bromothiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105087287
2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
CID 130668312
3-(4-bromophenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53007915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 46353490) is 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is JCCNBJQWGMZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2S2/c1-9-11(10(2)17(4)15-9)7-8-16(3)21(18,19)13-6-5-12(14)20-13/h5-6H,7-8H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 392.34 g/mol, XLogP of 2.72, 5 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-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46353490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).