4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide

C14H11BrN2O3S — CID 43369751

IUPAC4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
SMILESN#CCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O3S/c15-11-5-7-12(8-6-11)21(18,19)17-13-3-1-2-4-14(13)20-10-9-16/h1-8,17H,10H2
InChIKeyFHQNIYWJTBMZFC-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.15
Rot. Bonds5

About 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide

4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide (PubChem CID 43369751) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
PubChem CID43369751
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
SMILESN#CCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O3S/c15-11-5-7-12(8-6-11)21(18,19)17-13-3-1-2-4-14(13)20-10-9-16/h1-8,17H,10H2
InChIKeyFHQNIYWJTBMZFC-UHFFFAOYSA-N
XLogP3.15
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
CID 80577549
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414535
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43369772
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide (CID 43369751) is 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide is N#CCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide?
The InChIKey is FHQNIYWJTBMZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c15-11-5-7-12(8-6-11)21(18,19)17-13-3-1-2-4-14(13)20-10-9-16/h1-8,17H,10H2.
What are the key properties of 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide?
4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide has a molecular weight of 367.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 43369751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).