4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide

C20H19BrN2O4S — CID 15999681

IUPAC4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H19BrN2O4S/c1-23(14-18-3-2-12-27-18)20(24)16-6-4-15(5-7-16)13-22-28(25,26)19-10-8-17(21)9-11-19/h2-12,22H,13-14H2,1H3
InChIKeyDURIBFCELUNHPR-UHFFFAOYSA-N
MW463.35 g/mol
LogP3.79
Rot. Bonds7

About 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 15999681) has the molecular formula C20H19BrN2O4S and a molecular weight of 463.35 g/mol. Its IUPAC name is 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID15999681
Molecular FormulaC20H19BrN2O4S
Molecular Weight463.35 g/mol
Exact Mass462.02
IUPAC Name4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H19BrN2O4S/c1-23(14-18-3-2-12-27-18)20(24)16-6-4-15(5-7-16)13-22-28(25,26)19-10-8-17(21)9-11-19/h2-12,22H,13-14H2,1H3
InChIKeyDURIBFCELUNHPR-UHFFFAOYSA-N
XLogP3.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 24544466
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
CID 24542584
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 47083523
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38253066

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 15999681) is 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide is CN(Cc1ccco1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is DURIBFCELUNHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4S/c1-23(14-18-3-2-12-27-18)20(24)16-6-4-15(5-7-16)13-22-28(25,26)19-10-8-17(21)9-11-19/h2-12,22H,13-14H2,1H3.
What are the key properties of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide has a molecular weight of 463.35 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 15999681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).