N-benzyl-1-bromoethenesulfonamide

C9H10BrNO2S — CID 53240217

IUPACN-benzyl-1-bromoethenesulfonamide
SMILESC=C(Br)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H10BrNO2S/c1-8(10)14(12,13)11-7-9-5-3-2-4-6-9/h2-6,11H,1,7H2
InChIKeyCARFSFOEHAPLBC-UHFFFAOYSA-N
MW276.16 g/mol
LogP1.97
Rot. Bonds4

About N-benzyl-1-bromoethenesulfonamide

N-benzyl-1-bromoethenesulfonamide (PubChem CID 53240217) has the molecular formula C9H10BrNO2S and a molecular weight of 276.16 g/mol. Its IUPAC name is N-benzyl-1-bromoethenesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-bromoethenesulfonamide
PubChem CID53240217
Molecular FormulaC9H10BrNO2S
Molecular Weight276.16 g/mol
Exact Mass274.96
IUPAC NameN-benzyl-1-bromoethenesulfonamide
SMILESC=C(Br)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H10BrNO2S/c1-8(10)14(12,13)11-7-9-5-3-2-4-6-9/h2-6,11H,1,7H2
InChIKeyCARFSFOEHAPLBC-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-bromoethenesulfonamide?
The IUPAC name of N-benzyl-1-bromoethenesulfonamide (CID 53240217) is N-benzyl-1-bromoethenesulfonamide.
What is the SMILES notation for N-benzyl-1-bromoethenesulfonamide?
The canonical SMILES for N-benzyl-1-bromoethenesulfonamide is C=C(Br)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-bromoethenesulfonamide?
The InChIKey is CARFSFOEHAPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c1-8(10)14(12,13)11-7-9-5-3-2-4-6-9/h2-6,11H,1,7H2.
What are the key properties of N-benzyl-1-bromoethenesulfonamide?
N-benzyl-1-bromoethenesulfonamide has a molecular weight of 276.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-bromoethenesulfonamide is sourced from PubChem (CID 53240217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).