N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride

C13H14ClN3O4S — CID 3058877

IUPACN-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C13H13N3O4S.ClH/c1-8(17)16-9-2-4-10(5-3-9)21(18,19)12-7-6-11(20-12)13(14)15;/h2-7H,1H3,(H3,14,15)(H,16,17);1H
InChIKeySXEXLSDDEINBBN-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride

N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride (PubChem CID 3058877) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride
PubChem CID3058877
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC NameN-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C13H13N3O4S.ClH/c1-8(17)16-9-2-4-10(5-3-9)21(18,19)12-7-6-11(20-12)13(14)15;/h2-7H,1H3,(H3,14,15)(H,16,17);1H
InChIKeySXEXLSDDEINBBN-UHFFFAOYSA-N
XLogP1.78
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide;hydrochloride
CID 3058875
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
1-[5-(benzenesulfonyl)furan-2-yl]ethanone
CID 71339201
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
N-[4-[5-(1H-benzimidazol-2-yl)furan-2-yl]sulfonylphenyl]acetamide
CID 24832136
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride (CID 3058877) is N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)o1.
What is the InChIKey of N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride?
The InChIKey is SXEXLSDDEINBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S.ClH/c1-8(17)16-9-2-4-10(5-3-9)21(18,19)12-7-6-11(20-12)13(14)15;/h2-7H,1H3,(H3,14,15)(H,16,17);1H.
What are the key properties of N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride?
N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride has a molecular weight of 343.79 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 3058877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).