N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide

C15H13ClN4O3S — CID 169144757

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc3cnccn3c2)c1
InChIInChI=1S/C15H13ClN4O3S/c1-24(22,23)19-13-6-11(16)5-12(7-13)18-15(21)10-4-14-8-17-2-3-20(14)9-10/h2-9,19H,1H3,(H,18,21)
InChIKeyHWKDBYYJAMGMAM-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.61
Rot. Bonds4

About N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 169144757) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID169144757
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc3cnccn3c2)c1
InChIInChI=1S/C15H13ClN4O3S/c1-24(22,23)19-13-6-11(16)5-12(7-13)18-15(21)10-4-14-8-17-2-3-20(14)9-10/h2-9,19H,1H3,(H,18,21)
InChIKeyHWKDBYYJAMGMAM-UHFFFAOYSA-N
XLogP2.61
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 169144757) is N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide is CS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc3cnccn3c2)c1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is HWKDBYYJAMGMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-24(22,23)19-13-6-11(16)5-12(7-13)18-15(21)10-4-14-8-17-2-3-20(14)9-10/h2-9,19H,1H3,(H,18,21).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 364.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 169144757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).