2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide

C18H14ClN5O2S — CID 134306540

IUPAC2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide
SMILESCc1cc(C#N)ccc1-c1nc(NS(=O)(=O)c2ccnc(N)c2)ccc1Cl
InChIInChI=1S/C18H14ClN5O2S/c1-11-8-12(10-20)2-3-14(11)18-15(19)4-5-17(23-18)24-27(25,26)13-6-7-22-16(21)9-13/h2-9H,1H3,(H2,21,22)(H,23,24)
InChIKeyVYPGMFRSTQGFFO-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide

2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide (PubChem CID 134306540) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide
PubChem CID134306540
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide
SMILESCc1cc(C#N)ccc1-c1nc(NS(=O)(=O)c2ccnc(N)c2)ccc1Cl
InChIInChI=1S/C18H14ClN5O2S/c1-11-8-12(10-20)2-3-14(11)18-15(19)4-5-17(23-18)24-27(25,26)13-6-7-22-16(21)9-13/h2-9H,1H3,(H2,21,22)(H,23,24)
InChIKeyVYPGMFRSTQGFFO-UHFFFAOYSA-N
XLogP3.36
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide (CID 134306540) is 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide is Cc1cc(C#N)ccc1-c1nc(NS(=O)(=O)c2ccnc(N)c2)ccc1Cl.
What is the InChIKey of 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide?
The InChIKey is VYPGMFRSTQGFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-11-8-12(10-20)2-3-14(11)18-15(19)4-5-17(23-18)24-27(25,26)13-6-7-22-16(21)9-13/h2-9H,1H3,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide?
2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide has a molecular weight of 399.86 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide is sourced from PubChem (CID 134306540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).