5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide

C18H15BrN2O3S2 — CID 38736935

IUPAC5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1S(N)(=O)=O
InChIInChI=1S/C18H15BrN2O3S2/c1-11-2-7-14(10-17(11)26(20,23)24)21-18(22)16-9-8-15(25-16)12-3-5-13(19)6-4-12/h2-10H,1H3,(H,21,22)(H2,20,23,24)
InChIKeyISIPCAWYTILGHF-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.39
Rot. Bonds4

About 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide

5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 38736935) has the molecular formula C18H15BrN2O3S2 and a molecular weight of 451.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID38736935
Molecular FormulaC18H15BrN2O3S2
Molecular Weight451.37 g/mol
Exact Mass449.97
IUPAC Name5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1S(N)(=O)=O
InChIInChI=1S/C18H15BrN2O3S2/c1-11-2-7-14(10-17(11)26(20,23)24)21-18(22)16-9-8-15(25-16)12-3-5-13(19)6-4-12/h2-10H,1H3,(H,21,22)(H2,20,23,24)
InChIKeyISIPCAWYTILGHF-UHFFFAOYSA-N
XLogP4.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide (CID 38736935) is 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is ISIPCAWYTILGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S2/c1-11-2-7-14(10-17(11)26(20,23)24)21-18(22)16-9-8-15(25-16)12-3-5-13(19)6-4-12/h2-10H,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide?
5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 451.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 38736935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).