5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide

C15H14ClN3O2S — CID 719070

IUPAC5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-10-13(9-17)15(18-11(2)14(10)16)22(20,21)19(3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeySKIOBYLBCQALHH-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.05
Rot. Bonds3

About 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide

5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide (PubChem CID 719070) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide
PubChem CID719070
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-10-13(9-17)15(18-11(2)14(10)16)22(20,21)19(3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeySKIOBYLBCQALHH-UHFFFAOYSA-N
XLogP3.05
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide?
The IUPAC name of 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide (CID 719070) is 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide.
What is the SMILES notation for 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide?
The canonical SMILES for 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide is Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide?
The InChIKey is SKIOBYLBCQALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10-13(9-17)15(18-11(2)14(10)16)22(20,21)19(3)12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide?
5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyano-N,4,6-trimethyl-N-phenylpyridine-2-sulfonamide is sourced from PubChem (CID 719070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).