4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide

C16H20FN3O2S — CID 113009667

IUPAC4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(NCC(C)C)nc1
InChIInChI=1S/C16H20FN3O2S/c1-11(2)9-18-16-7-5-14(10-19-16)20-23(21,22)15-6-4-13(17)8-12(15)3/h4-8,10-11,20H,9H2,1-3H3,(H,18,19)
InChIKeyJNTZQKOWAGRWEW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.40
Rot. Bonds6

About 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide

4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113009667) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113009667
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(NCC(C)C)nc1
InChIInChI=1S/C16H20FN3O2S/c1-11(2)9-18-16-7-5-14(10-19-16)20-23(21,22)15-6-4-13(17)8-12(15)3/h4-8,10-11,20H,9H2,1-3H3,(H,18,19)
InChIKeyJNTZQKOWAGRWEW-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113013339
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
N-(2-bromo-4-methylpentyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107158198
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
CID 110779156
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide (CID 113009667) is 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(NCC(C)C)nc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JNTZQKOWAGRWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-11(2)9-18-16-7-5-14(10-19-16)20-23(21,22)15-6-4-13(17)8-12(15)3/h4-8,10-11,20H,9H2,1-3H3,(H,18,19).
What are the key properties of 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113009667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).