(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

C26H21ClN2O4S — CID 126177677

IUPAC(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C26H21ClN2O4S/c1-18-9-10-21(16-25(18)27)29-34(31,32)23-13-11-20(12-14-23)28-26(30)24(17-22-8-5-15-33-22)19-6-3-2-4-7-19/h2-17,29H,1H3,(H,28,30)/b24-17+
InChIKeyANNORKIAJSADKD-JJIBRWJFSA-N
MW492.98 g/mol
LogP6.22
Rot. Bonds7

About (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 126177677) has the molecular formula C26H21ClN2O4S and a molecular weight of 492.98 g/mol. Its IUPAC name is (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID126177677
Molecular FormulaC26H21ClN2O4S
Molecular Weight492.98 g/mol
Exact Mass492.09
IUPAC Name(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C26H21ClN2O4S/c1-18-9-10-21(16-25(18)27)29-34(31,32)23-13-11-20(12-14-23)28-26(30)24(17-22-8-5-15-33-22)19-6-3-2-4-7-19/h2-17,29H,1H3,(H,28,30)/b24-17+
InChIKeyANNORKIAJSADKD-JJIBRWJFSA-N
XLogP6.22
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126190947
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 38018309
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1284903
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
4-[(3-chloro-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 30057456
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 126186388

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 126177677) is (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)cc1Cl.
What is the InChIKey of (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is ANNORKIAJSADKD-JJIBRWJFSA-N. The full InChI is InChI=1S/C26H21ClN2O4S/c1-18-9-10-21(16-25(18)27)29-34(31,32)23-13-11-20(12-14-23)28-26(30)24(17-22-8-5-15-33-22)19-6-3-2-4-7-19/h2-17,29H,1H3,(H,28,30)/b24-17+.
What are the key properties of (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 492.98 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 126177677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).