N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide

C17H15ClN4O3S — CID 118724124

IUPACN-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H15ClN4O3S/c1-25-12-7-8-14(18)15(11-12)21-16-17(20-10-9-19-16)22-26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21)(H,20,22)
InChIKeyQFCXZXRMKPBAQJ-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.68
Rot. Bonds6

About N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide

N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide (PubChem CID 118724124) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
PubChem CID118724124
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H15ClN4O3S/c1-25-12-7-8-14(18)15(11-12)21-16-17(20-10-9-19-16)22-26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21)(H,20,22)
InChIKeyQFCXZXRMKPBAQJ-UHFFFAOYSA-N
XLogP3.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide (CID 118724124) is N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide is COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is QFCXZXRMKPBAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-25-12-7-8-14(18)15(11-12)21-16-17(20-10-9-19-16)22-26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 118724124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).