3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide

C18H15BrN2O3S2 — CID 55866733

IUPAC3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1cc(Br)cs1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H15BrN2O3S2/c19-14-10-16(25-12-14)11-20-18(22)13-5-4-6-15(9-13)21-26(23,24)17-7-2-1-3-8-17/h1-10,12,21H,11H2,(H,20,22)
InChIKeyMWMOEUHNLJVVDD-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.24
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide

3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide (PubChem CID 55866733) has the molecular formula C18H15BrN2O3S2 and a molecular weight of 451.37 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide
PubChem CID55866733
Molecular FormulaC18H15BrN2O3S2
Molecular Weight451.37 g/mol
Exact Mass449.97
IUPAC Name3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1cc(Br)cs1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H15BrN2O3S2/c19-14-10-16(25-12-14)11-20-18(22)13-5-4-6-15(9-13)21-26(23,24)17-7-2-1-3-8-17/h1-10,12,21H,11H2,(H,20,22)
InChIKeyMWMOEUHNLJVVDD-UHFFFAOYSA-N
XLogP4.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98862254
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide (CID 55866733) is 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide is O=C(NCc1cc(Br)cs1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The InChIKey is MWMOEUHNLJVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S2/c19-14-10-16(25-12-14)11-20-18(22)13-5-4-6-15(9-13)21-26(23,24)17-7-2-1-3-8-17/h1-10,12,21H,11H2,(H,20,22).
What are the key properties of 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide?
3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide has a molecular weight of 451.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 55866733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).