5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

C15H14BrN3O2S2 — CID 17022730

IUPAC5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1cccc(Cn2cc(NS(=O)(=O)c3ccc(Br)s3)cn2)c1
InChIInChI=1S/C15H14BrN3O2S2/c1-11-3-2-4-12(7-11)9-19-10-13(8-17-19)18-23(20,21)15-6-5-14(16)22-15/h2-8,10,18H,9H2,1H3
InChIKeyBTSVXZYNRQXQAL-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.86
Rot. Bonds5

About 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 17022730) has the molecular formula C15H14BrN3O2S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID17022730
Molecular FormulaC15H14BrN3O2S2
Molecular Weight412.33 g/mol
Exact Mass410.97
IUPAC Name5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1cccc(Cn2cc(NS(=O)(=O)c3ccc(Br)s3)cn2)c1
InChIInChI=1S/C15H14BrN3O2S2/c1-11-3-2-4-12(7-11)9-19-10-13(8-17-19)18-23(20,21)15-6-5-14(16)22-15/h2-8,10,18H,9H2,1H3
InChIKeyBTSVXZYNRQXQAL-UHFFFAOYSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4770047
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
5-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622453
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4776109
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide (CID 17022730) is 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide is Cc1cccc(Cn2cc(NS(=O)(=O)c3ccc(Br)s3)cn2)c1.
What is the InChIKey of 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is BTSVXZYNRQXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S2/c1-11-3-2-4-12(7-11)9-19-10-13(8-17-19)18-23(20,21)15-6-5-14(16)22-15/h2-8,10,18H,9H2,1H3.
What are the key properties of 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 412.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 17022730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).