N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide

C13H12BrNO2S — CID 114795468

IUPACN-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H12BrNO2S/c1-10(14)9-15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,15H,1,9H2
InChIKeyZXMOXRZTHHBFEZ-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.03
Rot. Bonds4

About N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide

N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide (PubChem CID 114795468) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
PubChem CID114795468
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H12BrNO2S/c1-10(14)9-15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,15H,1,9H2
InChIKeyZXMOXRZTHHBFEZ-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-[(naphthalen-1-ylsulfonylamino)methyl]formamide
CID 23498789
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide (CID 114795468) is N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide is C=C(Br)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide?
The InChIKey is ZXMOXRZTHHBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-10(14)9-15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,15H,1,9H2.
What are the key properties of N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide?
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide has a molecular weight of 326.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).