2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C14H21FN2O2S — CID 106630409

IUPAC2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N(C)CC2CCCCN2)c1
InChIInChI=1S/C14H21FN2O2S/c1-11-6-7-13(15)14(9-11)20(18,19)17(2)10-12-5-3-4-8-16-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyFSYHBVPVZJYCCQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds4

About 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630409) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630409
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N(C)CC2CCCCN2)c1
InChIInChI=1S/C14H21FN2O2S/c1-11-6-7-13(15)14(9-11)20(18,19)17(2)10-12-5-3-4-8-16-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyFSYHBVPVZJYCCQ-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106630495
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
2,4-dimethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606986
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630409) is 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)N(C)CC2CCCCN2)c1.
What is the InChIKey of 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is FSYHBVPVZJYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-6-7-13(15)14(9-11)20(18,19)17(2)10-12-5-3-4-8-16-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3.
What are the key properties of 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).