N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide

C24H23FN4O3S — CID 25009877

IUPACN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc3cc(-n4cccn4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H23FN4O3S/c1-15-11-21(22(25)14-23(15)28-33(3,31)32)16(2)27-24(30)19-6-5-18-13-20(8-7-17(18)12-19)29-10-4-9-26-29/h4-14,16,28H,1-3H3,(H,27,30)
InChIKeyGLRDFDFEEOQMFR-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.34
Rot. Bonds6

About N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide

N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide (PubChem CID 25009877) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide
PubChem CID25009877
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc3cc(-n4cccn4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H23FN4O3S/c1-15-11-21(22(25)14-23(15)28-33(3,31)32)16(2)27-24(30)19-6-5-18-13-20(8-7-17(18)12-19)29-10-4-9-26-29/h4-14,16,28H,1-3H3,(H,27,30)
InChIKeyGLRDFDFEEOQMFR-UHFFFAOYSA-N
XLogP4.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide (CID 25009877) is N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide is Cc1cc(C(C)NC(=O)c2ccc3cc(-n4cccn4)ccc3c2)c(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
The InChIKey is GLRDFDFEEOQMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15-11-21(22(25)14-23(15)28-33(3,31)32)16(2)27-24(30)19-6-5-18-13-20(8-7-17(18)12-19)29-10-4-9-26-29/h4-14,16,28H,1-3H3,(H,27,30).
What are the key properties of N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 25009877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).