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

C15H14BrN3O2S2 — CID 4770409

IUPAC5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1ccccc1Cn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C15H14BrN3O2S2/c1-11-4-2-3-5-12(11)10-19-9-8-14(17-19)18-23(20,21)15-7-6-13(16)22-15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyHAMMKGJCPAVHMY-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.86
Rot. Bonds5

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

5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 4770409) has the molecular formula C15H14BrN3O2S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID4770409
Molecular FormulaC15H14BrN3O2S2
Molecular Weight412.33 g/mol
Exact Mass410.97
IUPAC Name5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1ccccc1Cn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C15H14BrN3O2S2/c1-11-4-2-3-5-12(11)10-19-9-8-14(17-19)18-23(20,21)15-7-6-13(16)22-15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyHAMMKGJCPAVHMY-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

4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
CID 166266068
5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4770047
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206833

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (CID 4770409) is 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is Cc1ccccc1Cn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is HAMMKGJCPAVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S2/c1-11-4-2-3-5-12(11)10-19-9-8-14(17-19)18-23(20,21)15-7-6-13(16)22-15/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-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-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 4770409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).