N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide

C16H16BrNO2S — CID 102104553

IUPACN-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESC=C(Br)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16BrNO2S/c1-13-8-10-16(11-9-13)21(19,20)18(12-14(2)17)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyTUHPLFSGEGYALV-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.10
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide

N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 102104553) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID102104553
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESC=C(Br)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16BrNO2S/c1-13-8-10-16(11-9-13)21(19,20)18(12-14(2)17)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyTUHPLFSGEGYALV-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
CID 121219829
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 100935731
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1000735

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide (CID 102104553) is N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide is C=C(Br)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is TUHPLFSGEGYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-13-8-10-16(11-9-13)21(19,20)18(12-14(2)17)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide?
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 366.28 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 102104553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).