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

C15H14BrN3O2S2 — CID 92686097

IUPAC5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H14BrN3O2S2/c1-11-17-8-9-19(11)13-4-2-12(3-5-13)10-18-23(20,21)15-7-6-14(16)22-15/h2-9,18H,10H2,1H3
InChIKeyBCVWPILVNYMRHU-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.48
Rot. Bonds5

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

5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 92686097) has the molecular formula C15H14BrN3O2S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID92686097
Molecular FormulaC15H14BrN3O2S2
Molecular Weight412.33 g/mol
Exact Mass410.97
IUPAC Name5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H14BrN3O2S2/c1-11-17-8-9-19(11)13-4-2-12(3-5-13)10-18-23(20,21)15-7-6-14(16)22-15/h2-9,18H,10H2,1H3
InChIKeyBCVWPILVNYMRHU-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide (CID 92686097) is 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide is Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is BCVWPILVNYMRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S2/c1-11-17-8-9-19(11)13-4-2-12(3-5-13)10-18-23(20,21)15-7-6-14(16)22-15/h2-9,18H,10H2,1H3.
What are the key properties of 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 412.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 92686097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).