N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide

C18H22FN3O2S — CID 113030160

IUPACN-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S/c19-14-7-10-17(11-8-14)25(23,24)22-18-12-9-16(13-20-18)21-15-5-3-1-2-4-6-15/h7-13,15,21H,1-6H2,(H,20,22)
InChIKeyXQDUTERVYVVEBR-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.16
Rot. Bonds5

About N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 113030160) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID113030160
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC NameN-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S/c19-14-7-10-17(11-8-14)25(23,24)22-18-12-9-16(13-20-18)21-15-5-3-1-2-4-6-15/h7-13,15,21H,1-6H2,(H,20,22)
InChIKeyXQDUTERVYVVEBR-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113028667
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035

Frequently Asked Questions

What is the IUPAC name of N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 113030160) is N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(NC2CCCCCC2)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is XQDUTERVYVVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-14-7-10-17(11-8-14)25(23,24)22-18-12-9-16(13-20-18)21-15-5-3-1-2-4-6-15/h7-13,15,21H,1-6H2,(H,20,22).
What are the key properties of N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113030160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).