4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide

C23H27ClN4O3S — CID 170953429

IUPAC4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1Nc1cc2c(cn1)cc(Cl)c(=O)n2C1CCCC1
InChIInChI=1S/C23H27ClN4O3S/c1-14(2)27-32(30,31)18-8-9-20(15(3)10-18)26-22-12-21-16(13-25-22)11-19(24)23(29)28(21)17-6-4-5-7-17/h8-14,17,27H,4-7H2,1-3H3,(H,25,26)
InChIKeyCGYYBUCSISGDJC-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.90
Rot. Bonds6

About 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide

4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 170953429) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID170953429
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1Nc1cc2c(cn1)cc(Cl)c(=O)n2C1CCCC1
InChIInChI=1S/C23H27ClN4O3S/c1-14(2)27-32(30,31)18-8-9-20(15(3)10-18)26-22-12-21-16(13-25-22)11-19(24)23(29)28(21)17-6-4-5-7-17/h8-14,17,27H,4-7H2,1-3H3,(H,25,26)
InChIKeyCGYYBUCSISGDJC-UHFFFAOYSA-N
XLogP4.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide (CID 170953429) is 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C)ccc1Nc1cc2c(cn1)cc(Cl)c(=O)n2C1CCCC1.
What is the InChIKey of 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CGYYBUCSISGDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-14(2)27-32(30,31)18-8-9-20(15(3)10-18)26-22-12-21-16(13-25-22)11-19(24)23(29)28(21)17-6-4-5-7-17/h8-14,17,27H,4-7H2,1-3H3,(H,25,26).
What are the key properties of 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide?
4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 475.01 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 170953429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).