2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline

C11H13ClF2N2O2S — CID 138985743

IUPAC2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCC(F)(F)C2)ccc1Cl
InChIInChI=1S/C11H13ClF2N2O2S/c12-9-3-2-8(6-10(9)15)19(17,18)16-5-1-4-11(13,14)7-16/h2-3,6H,1,4-5,7,15H2
InChIKeyAAHMLPINEXZKJU-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline

2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline (PubChem CID 138985743) has the molecular formula C11H13ClF2N2O2S and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
PubChem CID138985743
Molecular FormulaC11H13ClF2N2O2S
Molecular Weight310.75 g/mol
Exact Mass310.04
IUPAC Name2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCC(F)(F)C2)ccc1Cl
InChIInChI=1S/C11H13ClF2N2O2S/c12-9-3-2-8(6-10(9)15)19(17,18)16-5-1-4-11(13,14)7-16/h2-3,6H,1,4-5,7,15H2
InChIKeyAAHMLPINEXZKJU-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
CID 135154329
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212622
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099
1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
CID 146049122
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline (CID 138985743) is 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline is Nc1cc(S(=O)(=O)N2CCCC(F)(F)C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline?
The InChIKey is AAHMLPINEXZKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2S/c12-9-3-2-8(6-10(9)15)19(17,18)16-5-1-4-11(13,14)7-16/h2-3,6H,1,4-5,7,15H2.
What are the key properties of 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline?
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline has a molecular weight of 310.75 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 138985743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).