2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide

C14H25BrN2O3S — CID 106018821

IUPAC2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC(CC)C(C)C)c(Br)o1
InChIInChI=1S/C14H25BrN2O3S/c1-5-7-16-9-11-8-13(14(15)20-11)21(18,19)17-12(6-2)10(3)4/h8,10,12,16-17H,5-7,9H2,1-4H3
InChIKeyKOJVNWWZXKTESB-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.25
Rot. Bonds9

About 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide

2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide (PubChem CID 106018821) has the molecular formula C14H25BrN2O3S and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
PubChem CID106018821
Molecular FormulaC14H25BrN2O3S
Molecular Weight381.34 g/mol
Exact Mass380.08
IUPAC Name2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC(CC)C(C)C)c(Br)o1
InChIInChI=1S/C14H25BrN2O3S/c1-5-7-16-9-11-8-13(14(15)20-11)21(18,19)17-12(6-2)10(3)4/h8,10,12,16-17H,5-7,9H2,1-4H3
InChIKeyKOJVNWWZXKTESB-UHFFFAOYSA-N
XLogP3.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106082750
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide (CID 106018821) is 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC(CC)C(C)C)c(Br)o1.
What is the InChIKey of 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The InChIKey is KOJVNWWZXKTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O3S/c1-5-7-16-9-11-8-13(14(15)20-11)21(18,19)17-12(6-2)10(3)4/h8,10,12,16-17H,5-7,9H2,1-4H3.
What are the key properties of 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide has a molecular weight of 381.34 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106018821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).