N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide

C16H18N2O4S2 — CID 2997932

IUPACN,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3
InChIKeyMOVXAFKSRWGBBY-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.35
Rot. Bonds6

About N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide

N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide (PubChem CID 2997932) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
PubChem CID2997932
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3
InChIKeyMOVXAFKSRWGBBY-UHFFFAOYSA-N
XLogP2.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 42999256
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91943617
(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
CID 6263676
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide (CID 2997932) is N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide?
The InChIKey is MOVXAFKSRWGBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide?
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 2997932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).