N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide

C17H14ClFN2O2S — CID 17486754

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C17H14ClFN2O2S/c18-16-2-1-3-17(19)15(16)11-21(13-6-7-13)24(22,23)14-8-4-12(10-20)5-9-14/h1-5,8-9,13H,6-7,11H2
InChIKeyFMSBLDNERBOXDB-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.70
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide (PubChem CID 17486754) has the molecular formula C17H14ClFN2O2S and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide
PubChem CID17486754
Molecular FormulaC17H14ClFN2O2S
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C17H14ClFN2O2S/c18-16-2-1-3-17(19)15(16)11-21(13-6-7-13)24(22,23)14-8-4-12(10-20)5-9-14/h1-5,8-9,13H,6-7,11H2
InChIKeyFMSBLDNERBOXDB-UHFFFAOYSA-N
XLogP3.70
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide (CID 17486754) is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide is N#Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide?
The InChIKey is FMSBLDNERBOXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S/c18-16-2-1-3-17(19)15(16)11-21(13-6-7-13)24(22,23)14-8-4-12(10-20)5-9-14/h1-5,8-9,13H,6-7,11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide has a molecular weight of 364.83 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 17486754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).