N-[3-(cyanomethoxy)phenyl]benzenesulfonamide

C14H12N2O3S — CID 43369723

IUPACN-[3-(cyanomethoxy)phenyl]benzenesulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H12N2O3S/c15-9-10-19-13-6-4-5-12(11-13)16-20(17,18)14-7-2-1-3-8-14/h1-8,11,16H,10H2
InChIKeyLSJIBPNZSQHPAE-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.39
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]benzenesulfonamide

N-[3-(cyanomethoxy)phenyl]benzenesulfonamide (PubChem CID 43369723) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]benzenesulfonamide
PubChem CID43369723
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-[3-(cyanomethoxy)phenyl]benzenesulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H12N2O3S/c15-9-10-19-13-6-4-5-12(11-13)16-20(17,18)14-7-2-1-3-8-14/h1-8,11,16H,10H2
InChIKeyLSJIBPNZSQHPAE-UHFFFAOYSA-N
XLogP2.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420
2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide
CID 61051825
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
CID 61453579
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
[3-(cyanomethoxy)phenyl]urea
CID 43369607
4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 79185383
N-[3-(cyanomethoxy)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594030
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
2-[3-(1-methylsulfonylpropan-2-ylamino)phenoxy]acetonitrile
CID 64628725
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]benzenesulfonamide (CID 43369723) is N-[3-(cyanomethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]benzenesulfonamide is N#CCOc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]benzenesulfonamide?
The InChIKey is LSJIBPNZSQHPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c15-9-10-19-13-6-4-5-12(11-13)16-20(17,18)14-7-2-1-3-8-14/h1-8,11,16H,10H2.
What are the key properties of N-[3-(cyanomethoxy)phenyl]benzenesulfonamide?
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 43369723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).