N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide

C18H15BrN2O3S2 — CID 53061732

IUPACN-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O3S2/c1-21(15-5-3-2-4-6-15)26(23,24)16-11-12-25-17(16)18(22)20-14-9-7-13(19)8-10-14/h2-12H,1H3,(H,20,22)
InChIKeyJREXFDVNXGWGOG-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.59
Rot. Bonds5

About N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide

N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 53061732) has the molecular formula C18H15BrN2O3S2 and a molecular weight of 451.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID53061732
Molecular FormulaC18H15BrN2O3S2
Molecular Weight451.37 g/mol
Exact Mass449.97
IUPAC NameN-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O3S2/c1-21(15-5-3-2-4-6-15)26(23,24)16-11-12-25-17(16)18(22)20-14-9-7-13(19)8-10-14/h2-12H,1H3,(H,20,22)
InChIKeyJREXFDVNXGWGOG-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 50928100
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
N-(4-bromophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 1210609
N-[3-(diethylcarbamoyl)phenyl]-3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 171727981

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide (CID 53061732) is N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide is CN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is JREXFDVNXGWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S2/c1-21(15-5-3-2-4-6-15)26(23,24)16-11-12-25-17(16)18(22)20-14-9-7-13(19)8-10-14/h2-12H,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 451.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 53061732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).