N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

C18H24FN3O2S — CID 113030968

IUPACN-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C18H24FN3O2S/c1-4-10-22(11-5-2)15-6-9-18(20-13-15)21-25(23,24)16-7-8-17(19)14(3)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyLUWKTVQRSXFNQC-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.96
Rot. Bonds8

About N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113030968) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113030968
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C18H24FN3O2S/c1-4-10-22(11-5-2)15-6-9-18(20-13-15)21-25(23,24)16-7-8-17(19)14(3)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyLUWKTVQRSXFNQC-UHFFFAOYSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
N-[4-[[5-(dipropylamino)-2-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113030987
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
N-[5-(N-ethylanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113032625
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789

Frequently Asked Questions

What is the IUPAC name of N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113030968) is N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1.
What is the InChIKey of N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is LUWKTVQRSXFNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-4-10-22(11-5-2)15-6-9-18(20-13-15)21-25(23,24)16-7-8-17(19)14(3)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 365.47 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113030968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).