N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

C17H17ClN4O3S — CID 10475644

IUPACN-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCOc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)
InChIKeyZEICTPGVQAZONR-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.16
Rot. Bonds5

About N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10475644) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10475644
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC NameN-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCOc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)
InChIKeyZEICTPGVQAZONR-UHFFFAOYSA-N
XLogP3.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10475644) is N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is ZEICTPGVQAZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 392.87 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10475644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).