1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea

C19H17ClN4O4S — CID 133225256

IUPAC1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccccc1
InChIInChI=1S/C19H17ClN4O4S/c20-14-6-10-18(11-7-14)29(26,27)22-13-17-9-8-16(28-17)12-21-24-19(25)23-15-4-2-1-3-5-15/h1-12,22H,13H2,(H2,23,24,25)/b21-12+
InChIKeyIULYEXAOSBLSSQ-CIAFOILYSA-N
MW432.89 g/mol
LogP3.57
Rot. Bonds7

About 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea

1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea (PubChem CID 133225256) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea
PubChem CID133225256
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccccc1
InChIInChI=1S/C19H17ClN4O4S/c20-14-6-10-18(11-7-14)29(26,27)22-13-17-9-8-16(28-17)12-21-24-19(25)23-15-4-2-1-3-5-15/h1-12,22H,13H2,(H2,23,24,25)/b21-12+
InChIKeyIULYEXAOSBLSSQ-CIAFOILYSA-N
XLogP3.57
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylthiourea
CID 133225267
[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]urea
CID 99972908
1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 9242399
3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4014656
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
N-[(Z)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 5430492
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea
CID 126027035
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
N'-[(E)-[5-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(3-bromophenyl)oxamide
CID 99652804
4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 172958492
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea (CID 133225256) is 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea is O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccccc1.
What is the InChIKey of 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea?
The InChIKey is IULYEXAOSBLSSQ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c20-14-6-10-18(11-7-14)29(26,27)22-13-17-9-8-16(28-17)12-21-24-19(25)23-15-4-2-1-3-5-15/h1-12,22H,13H2,(H2,23,24,25)/b21-12+.
What are the key properties of 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea?
1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea has a molecular weight of 432.89 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 133225256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).