5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride

C18H22BrClN2O5S — CID 52988526

IUPAC5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1.Cl
InChIInChI=1S/C18H21BrN2O5S.ClH/c1-13(21-8-10-25-11-9-21)12-20-18(22)16-6-7-17(26-16)27(23,24)15-4-2-14(19)3-5-15;/h2-7,13H,8-12H2,1H3,(H,20,22);1H
InChIKeyZSPRUTFABJDHHP-UHFFFAOYSA-N
MW493.81 g/mol
LogP2.75
Rot. Bonds6

About 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride

5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride (PubChem CID 52988526) has the molecular formula C18H22BrClN2O5S and a molecular weight of 493.81 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
PubChem CID52988526
Molecular FormulaC18H22BrClN2O5S
Molecular Weight493.81 g/mol
Exact Mass492.01
IUPAC Name5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1.Cl
InChIInChI=1S/C18H21BrN2O5S.ClH/c1-13(21-8-10-25-11-9-21)12-20-18(22)16-6-7-17(26-16)27(23,24)15-4-2-14(19)3-5-15;/h2-7,13H,8-12H2,1H3,(H,20,22);1H
InChIKeyZSPRUTFABJDHHP-UHFFFAOYSA-N
XLogP2.75
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 98295079
(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
CID 96537490
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 47031083
N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 135042570
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
3-(4-bromophenyl)-2-(dimethylamino)-N-(2-morpholin-4-ylpropyl)thieno[2,3-d]imidazole-5-carboxamide
CID 55852339
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
CID 95635716
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride (CID 52988526) is 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride is CC(CNC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1.Cl.
What is the InChIKey of 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
The InChIKey is ZSPRUTFABJDHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O5S.ClH/c1-13(21-8-10-25-11-9-21)12-20-18(22)16-6-7-17(26-16)27(23,24)15-4-2-14(19)3-5-15;/h2-7,13H,8-12H2,1H3,(H,20,22);1H.
What are the key properties of 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride has a molecular weight of 493.81 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfonyl-N-(2-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 52988526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).