2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

C14H17ClFNO3S — CID 65368020

IUPAC2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCc1cc(C(=O)N2CCCC(C)C2)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C14H17ClFNO3S/c1-9-4-3-5-17(8-9)14(18)11-6-10(2)13(16)12(7-11)21(15,19)20/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHHJKSOUXSGPEIB-UHFFFAOYSA-N
MW333.81 g/mol
LogP2.93
Rot. Bonds2

About 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65368020) has the molecular formula C14H17ClFNO3S and a molecular weight of 333.81 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65368020
Molecular FormulaC14H17ClFNO3S
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCc1cc(C(=O)N2CCCC(C)C2)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C14H17ClFNO3S/c1-9-4-3-5-17(8-9)14(18)11-6-10(2)13(16)12(7-11)21(15,19)20/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHHJKSOUXSGPEIB-UHFFFAOYSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628
2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65373779
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
CID 102970898
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonyl chloride
CID 103540871
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 41368476

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65368020) is 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is Cc1cc(C(=O)N2CCCC(C)C2)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is HHJKSOUXSGPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3S/c1-9-4-3-5-17(8-9)14(18)11-6-10(2)13(16)12(7-11)21(15,19)20/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 333.81 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).