2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline

C14H21ClN2O2S — CID 62655982

IUPAC2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
SMILESCN1CCC(CNc2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-17-7-5-11(6-8-17)10-16-14-9-12(20(2,18)19)3-4-13(14)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyPMOARJQZDVTNEU-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline

2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline (PubChem CID 62655982) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
PubChem CID62655982
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
SMILESCN1CCC(CNc2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-17-7-5-11(6-8-17)10-16-14-9-12(20(2,18)19)3-4-13(14)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyPMOARJQZDVTNEU-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 104726497
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62655263
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
CID 51074560
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline
CID 60780234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline (CID 62655982) is 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline is CN1CCC(CNc2cc(S(C)(=O)=O)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline?
The InChIKey is PMOARJQZDVTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-17-7-5-11(6-8-17)10-16-14-9-12(20(2,18)19)3-4-13(14)15/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline?
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline has a molecular weight of 316.85 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline is sourced from PubChem (CID 62655982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).