N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide

C18H14FN3O4S — CID 113036197

IUPACN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc3c(c2)OCO3)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O4S/c19-12-1-5-15(6-2-12)27(23,24)22-18-8-4-14(10-20-18)21-13-3-7-16-17(9-13)26-11-25-16/h1-10,21H,11H2,(H,20,22)
InChIKeyUVEYGWDCKMWOGP-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.49
Rot. Bonds5

About N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 113036197) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID113036197
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc3c(c2)OCO3)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O4S/c19-12-1-5-15(6-2-12)27(23,24)22-18-8-4-14(10-20-18)21-13-3-7-16-17(9-13)26-11-25-16/h1-10,21H,11H2,(H,20,22)
InChIKeyUVEYGWDCKMWOGP-UHFFFAOYSA-N
XLogP3.49
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1898287
5-(1,3-benzodioxol-5-ylamino)-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 146613774
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398360
N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 2998854
4-[[1-(1,3-Benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]methylamino]benzenesulfonamide
CID 72375324
2-[Benzenesulfonyl-(3,4-dimethoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 2280503
4-[(2-amino-4-hydroxy-5-methoxyphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 136224170
1-(1,3-Benzodioxol-5-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 162661068
N,N'-bis(1,3-benzodioxol-5-yl)-5-fluoropyrimidine-2,4-diamine
CID 1078701
1,3-Dihydro-3-(3,4-methylenedioxyphenyl)imidazo[4,5-b]pyridin-2-thione
CID 12445507
N-(3-{4-[(1,3-benzodioxol-5-ylamino)methyl]phenyl}pyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 11960144
3-(1,3-Benzodioxol-5-yl)-1-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridin-2-one
CID 12445604

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 113036197) is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc3c(c2)OCO3)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is UVEYGWDCKMWOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c19-12-1-5-15(6-2-12)27(23,24)22-18-8-4-14(10-20-18)21-13-3-7-16-17(9-13)26-11-25-16/h1-10,21H,11H2,(H,20,22).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 387.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113036197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).