5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide

C13H16BrN3O3S — CID 106005665

IUPAC5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C13H16BrN3O3S/c1-17(2)11-6-4-3-5-10(11)16-21(18,19)12-7-9(8-15)20-13(12)14/h3-7,16H,8,15H2,1-2H3
InChIKeyLXGVXRKTXSQVNO-UHFFFAOYSA-N
MW374.26 g/mol
LogP2.37
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide (PubChem CID 106005665) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
PubChem CID106005665
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C13H16BrN3O3S/c1-17(2)11-6-4-3-5-10(11)16-21(18,19)12-7-9(8-15)20-13(12)14/h3-7,16H,8,15H2,1-2H3
InChIKeyLXGVXRKTXSQVNO-UHFFFAOYSA-N
XLogP2.37
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
CID 106057989
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide (CID 106005665) is 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide is CN(C)c1ccccc1NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide?
The InChIKey is LXGVXRKTXSQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-17(2)11-6-4-3-5-10(11)16-21(18,19)12-7-9(8-15)20-13(12)14/h3-7,16H,8,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide has a molecular weight of 374.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide is sourced from PubChem (CID 106005665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).