4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide

C15H14BrNO3S — CID 82914133

IUPAC4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide
SMILESC=C(Br)COc1ccc(S(N)(=O)=O)cc1-c1ccccc1
InChIInChI=1S/C15H14BrNO3S/c1-11(16)10-20-15-8-7-13(21(17,18)19)9-14(15)12-5-3-2-4-6-12/h2-9H,1,10H2,(H2,17,18,19)
InChIKeyABESFBGDMUJCEP-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.29
Rot. Bonds5

About 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide

4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide (PubChem CID 82914133) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide
PubChem CID82914133
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide
SMILESC=C(Br)COc1ccc(S(N)(=O)=O)cc1-c1ccccc1
InChIInChI=1S/C15H14BrNO3S/c1-11(16)10-20-15-8-7-13(21(17,18)19)9-14(15)12-5-3-2-4-6-12/h2-9H,1,10H2,(H2,17,18,19)
InChIKeyABESFBGDMUJCEP-UHFFFAOYSA-N
XLogP3.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylprop-2-enoxy)-3-phenylbenzenesulfonyl chloride
CID 82912553
4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide
CID 82914140
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
2-(2-bromo-4-sulfamoylphenoxy)acetic acid
CID 43164345
3-phenyl-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909640
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
3-(aminomethyl)-4-phenylbenzenesulfonamide
CID 143636472
4-(3-fluoropropoxy)-3-phenylbenzenesulfonyl chloride
CID 81106787
4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
CID 82909789
2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11315819
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide?
The IUPAC name of 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide (CID 82914133) is 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide?
The canonical SMILES for 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide is C=C(Br)COc1ccc(S(N)(=O)=O)cc1-c1ccccc1.
What is the InChIKey of 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide?
The InChIKey is ABESFBGDMUJCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-11(16)10-20-15-8-7-13(21(17,18)19)9-14(15)12-5-3-2-4-6-12/h2-9H,1,10H2,(H2,17,18,19).
What are the key properties of 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide?
4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide is sourced from PubChem (CID 82914133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).