N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H18BrN3O2S — CID 10645779

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H18BrN3O2S/c1-12-10-13(19)11-20-18(12)21-25(23,24)17-9-5-6-14-15(17)7-4-8-16(14)22(2)3/h4-11H,1-3H3,(H,20,21)
InChIKeyYMGNXXUWTUHJRZ-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.17
Rot. Bonds4

About N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10645779) has the molecular formula C18H18BrN3O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10645779
Molecular FormulaC18H18BrN3O2S
Molecular Weight420.33 g/mol
Exact Mass419.03
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H18BrN3O2S/c1-12-10-13(19)11-20-18(12)21-25(23,24)17-9-5-6-14-15(17)7-4-8-16(14)22(2)3/h4-11H,1-3H3,(H,20,21)
InChIKeyYMGNXXUWTUHJRZ-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10833400
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10791888
5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 10404449
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
CID 3795754
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10645779) is N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is YMGNXXUWTUHJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2S/c1-12-10-13(19)11-20-18(12)21-25(23,24)17-9-5-6-14-15(17)7-4-8-16(14)22(2)3/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 420.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10645779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).