4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide

C17H20N2O4S2 — CID 51183821

IUPAC4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H20N2O4S2/c1-14(16-8-10-17(11-9-16)25(18,22)23)19(2)24(20,21)13-12-15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,18,22,23)/b13-12+
InChIKeySCWRYNOCDLJXIA-OUKQBFOZSA-N
MW380.49 g/mol
LogP2.33
Rot. Bonds6

About 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide

4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 51183821) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide
PubChem CID51183821
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H20N2O4S2/c1-14(16-8-10-17(11-9-16)25(18,22)23)19(2)24(20,21)13-12-15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,18,22,23)/b13-12+
InChIKeySCWRYNOCDLJXIA-OUKQBFOZSA-N
XLogP2.33
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
CID 42947447
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
4-N,4-N-diethyl-1-N-methyl-1-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide
CID 30963940
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
benzenesulfonamide;2-methylpropane
CID 157350693
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 43074821
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
4-[1-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 51086703
(E)-N-methyl-3-(2-nitrophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 46635557
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide (CID 51183821) is 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is SCWRYNOCDLJXIA-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-14(16-8-10-17(11-9-16)25(18,22)23)19(2)24(20,21)13-12-15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,18,22,23)/b13-12+.
What are the key properties of 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide?
4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 51183821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).