2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide

C12H14N2O3S — CID 86043457

IUPAC2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC2CC2)c1C#N
InChIInChI=1S/C12H14N2O3S/c1-17-11-3-2-4-12(10(11)7-13)18(15,16)14-8-9-5-6-9/h2-4,9,14H,5-6,8H2,1H3
InChIKeyJZKWOSFKKUQMSY-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.26
Rot. Bonds5

About 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide

2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide (PubChem CID 86043457) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
PubChem CID86043457
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC2CC2)c1C#N
InChIInChI=1S/C12H14N2O3S/c1-17-11-3-2-4-12(10(11)7-13)18(15,16)14-8-9-5-6-9/h2-4,9,14H,5-6,8H2,1H3
InChIKeyJZKWOSFKKUQMSY-UHFFFAOYSA-N
XLogP1.26
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 894026
4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 956299
N-allyl-4-methoxy-3-methylbenzenesulfonamide
CID 1750779
N-butyl-4-methoxy-3-methylbenzenesulfonamide
CID 1729061
N,N-Dimethyl-2-cyano-3-difluoromethoxyphenylsulfonamide
CID 11492812
2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 11630306
methyl (1Z)-N-[2-cyano-3-(difluoromethoxy)phenyl]sulfonylethanimidate
CID 16749767
2-cyano-N-ethyl-4-fluoro-3-methoxybenzenesulfonamide
CID 25064796
2-cyano-6-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 49800381
2-cyano-N-ethyl-6-fluoro-3-methoxy-N-methylbenzenesulfonamide
CID 49800382
2-cyano-3-(difluoromethoxy)-N-ethyl-4-fluorobenzenesulfonamide
CID 49800664
2-cyano-N-ethyl-3-(fluoromethoxy)benzenesulfonamide
CID 49805427

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide (CID 86043457) is 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCC2CC2)c1C#N.
What is the InChIKey of 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
The InChIKey is JZKWOSFKKUQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-11-3-2-4-12(10(11)7-13)18(15,16)14-8-9-5-6-9/h2-4,9,14H,5-6,8H2,1H3.
What are the key properties of 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 86043457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).