N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide

C12H12BrClN2O3S — CID 106885182

IUPACN-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NCc2occc2Br)c1
InChIInChI=1S/C12H12BrClN2O3S/c1-20(17,18)16-8-2-3-10(14)11(6-8)15-7-12-9(13)4-5-19-12/h2-6,15-16H,7H2,1H3
InChIKeyXRZDQDFOBHKTMG-UHFFFAOYSA-N
MW379.66 g/mol
LogP3.68
Rot. Bonds5

About N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide

N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide (PubChem CID 106885182) has the molecular formula C12H12BrClN2O3S and a molecular weight of 379.66 g/mol. Its IUPAC name is N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
PubChem CID106885182
Molecular FormulaC12H12BrClN2O3S
Molecular Weight379.66 g/mol
Exact Mass377.94
IUPAC NameN-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NCc2occc2Br)c1
InChIInChI=1S/C12H12BrClN2O3S/c1-20(17,18)16-8-2-3-10(14)11(6-8)15-7-12-9(13)4-5-19-12/h2-6,15-16H,7H2,1H3
InChIKeyXRZDQDFOBHKTMG-UHFFFAOYSA-N
XLogP3.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.66
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
CID 106885136
N-[3-[(4-bromothiophen-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 43708393
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
N-[4-chloro-3-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 114555179
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
CID 106885213
N-[4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66397679
N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
CID 43708233
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-nitroaniline
CID 106885206
N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107123951
N-[(3-bromofuran-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 113344577
N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 62756131
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide (CID 106885182) is N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)c(NCc2occc2Br)c1.
What is the InChIKey of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide?
The InChIKey is XRZDQDFOBHKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O3S/c1-20(17,18)16-8-2-3-10(14)11(6-8)15-7-12-9(13)4-5-19-12/h2-6,15-16H,7H2,1H3.
What are the key properties of N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide?
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide has a molecular weight of 379.66 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 106885182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).