4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride

C14H11ClN2O3S — CID 82911501

IUPAC4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCc2ccnc(C#N)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H11ClN2O3S/c1-10-6-13(2-3-14(10)21(15,18)19)20-9-11-4-5-17-12(7-11)8-16/h2-7H,9H2,1H3
InChIKeyHXESNGRSZNTMKG-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.77
Rot. Bonds4

About 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride

4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride (PubChem CID 82911501) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride
PubChem CID82911501
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCc2ccnc(C#N)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H11ClN2O3S/c1-10-6-13(2-3-14(10)21(15,18)19)20-9-11-4-5-17-12(7-11)8-16/h2-7H,9H2,1H3
InChIKeyHXESNGRSZNTMKG-UHFFFAOYSA-N
XLogP2.77
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
4-[[4-(3-aminoprop-1-ynyl)-3-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 83137717
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
CID 80643657
2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82917403
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride (CID 82911501) is 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride is Cc1cc(OCc2ccnc(C#N)c2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride?
The InChIKey is HXESNGRSZNTMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-10-6-13(2-3-14(10)21(15,18)19)20-9-11-4-5-17-12(7-11)8-16/h2-7H,9H2,1H3.
What are the key properties of 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride?
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride has a molecular weight of 322.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82911501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).