3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide

C13H10ClN3O3S — CID 82913966

IUPAC3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide
SMILESN#Cc1ncccc1COc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H10ClN3O3S/c14-11-6-10(21(16,18)19)3-4-13(11)20-8-9-2-1-5-17-12(9)7-15/h1-6H,8H2,(H2,16,18,19)
InChIKeyOPMOGSHCMZKYEO-UHFFFAOYSA-N
MW323.76 g/mol
LogP1.83
Rot. Bonds4

About 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide

3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide (PubChem CID 82913966) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide
PubChem CID82913966
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide
SMILESN#Cc1ncccc1COc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H10ClN3O3S/c14-11-6-10(21(16,18)19)3-4-13(11)20-8-9-2-1-5-17-12(9)7-15/h1-6H,8H2,(H2,16,18,19)
InChIKeyOPMOGSHCMZKYEO-UHFFFAOYSA-N
XLogP1.83
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 107658072
3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880
3-[(4-cyano-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 62919934
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437
3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107691144
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
3-[(2,6-dibromo-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 62920278
3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide
CID 106955558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide (CID 82913966) is 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide is N#Cc1ncccc1COc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide?
The InChIKey is OPMOGSHCMZKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-11-6-10(21(16,18)19)3-4-13(11)20-8-9-2-1-5-17-12(9)7-15/h1-6H,8H2,(H2,16,18,19).
What are the key properties of 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide?
3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide has a molecular weight of 323.76 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-cyano-3-pyridinyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82913966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).