N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide

C12H16N2O3S — CID 62997815

IUPACN-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(2)9-18(15,16)14-11-3-5-12(6-4-11)17-8-7-13/h3-6,10,14H,8-9H2,1-2H3
InChIKeyDYPDPZBKQAXNCK-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.99
Rot. Bonds6

About N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide

N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide (PubChem CID 62997815) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
PubChem CID62997815
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(2)9-18(15,16)14-11-3-5-12(6-4-11)17-8-7-13/h3-6,10,14H,8-9H2,1-2H3
InChIKeyDYPDPZBKQAXNCK-UHFFFAOYSA-N
XLogP1.99
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169
2-[4-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]phenoxy]acetonitrile
CID 64630998
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605
N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047896
N-[3-(cyanomethoxy)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594030
2-[3-(1-methylsulfonylpropan-2-ylamino)phenoxy]acetonitrile
CID 64628725

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide (CID 62997815) is N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide?
The InChIKey is DYPDPZBKQAXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10(2)9-18(15,16)14-11-3-5-12(6-4-11)17-8-7-13/h3-6,10,14H,8-9H2,1-2H3.
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide?
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 62997815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).