2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine

C19H22ClFN4O3S — CID 42172326

IUPAC2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(F)cc1Cl)C2
InChIInChI=1S/C19H22ClFN4O3S/c1-12-17(10-23-29(27,28)24(2)3)15-6-7-25(11-13(15)9-22-12)19(26)16-5-4-14(21)8-18(16)20/h4-5,8-9,23H,6-7,10-11H2,1-3H3
InChIKeyNRTBANBPCUISAR-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine

2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 42172326) has the molecular formula C19H22ClFN4O3S and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID42172326
Molecular FormulaC19H22ClFN4O3S
Molecular Weight440.93 g/mol
Exact Mass440.11
IUPAC Name2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(F)cc1Cl)C2
InChIInChI=1S/C19H22ClFN4O3S/c1-12-17(10-23-29(27,28)24(2)3)15-6-7-25(11-13(15)9-22-12)19(26)16-5-4-14(21)8-18(16)20/h4-5,8-9,23H,6-7,10-11H2,1-3H3
InChIKeyNRTBANBPCUISAR-UHFFFAOYSA-N
XLogP2.28
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine (CID 42172326) is 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine is Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(F)cc1Cl)C2.
What is the InChIKey of 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is NRTBANBPCUISAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O3S/c1-12-17(10-23-29(27,28)24(2)3)15-6-7-25(11-13(15)9-22-12)19(26)16-5-4-14(21)8-18(16)20/h4-5,8-9,23H,6-7,10-11H2,1-3H3.
What are the key properties of 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 440.93 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorobenzoyl)-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 42172326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).