4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride

C19H20BrClN2O3S — CID 17332241

IUPAC4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C19H19BrN2O3S.ClH/c20-16-5-3-15(4-6-16)19-10-7-17(25-19)13-22-12-11-14-1-8-18(9-2-14)26(21,23)24;/h1-10,22H,11-13H2,(H2,21,23,24);1H
InChIKeyGMRTZFGQRXRKOP-UHFFFAOYSA-N
MW471.80 g/mol
LogP4.11
Rot. Bonds7

About 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 17332241) has the molecular formula C19H20BrClN2O3S and a molecular weight of 471.80 g/mol. Its IUPAC name is 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID17332241
Molecular FormulaC19H20BrClN2O3S
Molecular Weight471.80 g/mol
Exact Mass470.01
IUPAC Name4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C19H19BrN2O3S.ClH/c20-16-5-3-15(4-6-16)19-10-7-17(25-19)13-22-12-11-14-1-8-18(9-2-14)26(21,23)24;/h1-10,22H,11-13H2,(H2,21,23,24);1H
InChIKeyGMRTZFGQRXRKOP-UHFFFAOYSA-N
XLogP4.11
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.80
LogP ≤ 54.11
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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
4-chloro-3-[5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]furan-2-yl]benzoic acid
CID 17212952
4-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102835092
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
CID 17332235
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 17332241) is 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is GMRTZFGQRXRKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S.ClH/c20-16-5-3-15(4-6-16)19-10-7-17(25-19)13-22-12-11-14-1-8-18(9-2-14)26(21,23)24;/h1-10,22H,11-13H2,(H2,21,23,24);1H.
What are the key properties of 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 471.80 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 17332241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).