N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide

C13H14BrClN2O3S — CID 106070960

IUPACN-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C13H14BrClN2O3S/c1-2-16-8-10-4-6-13(20-10)21(18,19)17-9-3-5-12(15)11(14)7-9/h3-7,16-17H,2,8H2,1H3
InChIKeyJNSKEXXSHZCXJV-UHFFFAOYSA-N
MW393.69 g/mol
LogP3.61
Rot. Bonds6

About N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide

N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide (PubChem CID 106070960) has the molecular formula C13H14BrClN2O3S and a molecular weight of 393.69 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
PubChem CID106070960
Molecular FormulaC13H14BrClN2O3S
Molecular Weight393.69 g/mol
Exact Mass391.96
IUPAC NameN-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C13H14BrClN2O3S/c1-2-16-8-10-4-6-13(20-10)21(18,19)17-9-3-5-12(15)11(14)7-9/h3-7,16-17H,2,8H2,1H3
InChIKeyJNSKEXXSHZCXJV-UHFFFAOYSA-N
XLogP3.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.69
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106058597
5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
CID 106029546
N-(3-bromo-2-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106088206
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
5-(ethylaminomethyl)-N-pyridin-2-ylfuran-2-sulfonamide
CID 106082609
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932
5-(ethylaminomethyl)-N-(2-methoxyphenyl)furan-2-sulfonamide
CID 106045113
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)furan-2-sulfonamide
CID 106086991
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide (CID 106070960) is N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)o1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
The InChIKey is JNSKEXXSHZCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O3S/c1-2-16-8-10-4-6-13(20-10)21(18,19)17-9-3-5-12(15)11(14)7-9/h3-7,16-17H,2,8H2,1H3.
What are the key properties of N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide has a molecular weight of 393.69 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106070960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).