methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate

C15H19ClN2O5S — CID 30797828

IUPACmethyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-23-15(20)12-8-11(5-6-13(12)16)17-14(19)10-4-3-7-18(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyJSSFHBBPNNWNKR-SNVBAGLBSA-N
MW374.85 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate

methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate (PubChem CID 30797828) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
PubChem CID30797828
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Namemethyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-23-15(20)12-8-11(5-6-13(12)16)17-14(19)10-4-3-7-18(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyJSSFHBBPNNWNKR-SNVBAGLBSA-N
XLogP1.74
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate 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

(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
ethyl 2-chloro-5-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 133189497
ethyl 2-chloro-5-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 100665355
methyl 2-chloro-5-[[1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925089
methyl 2-chloro-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 38238190
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate (CID 30797828) is methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate?
The InChIKey is JSSFHBBPNNWNKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-23-15(20)12-8-11(5-6-13(12)16)17-14(19)10-4-3-7-18(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate?
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate has a molecular weight of 374.85 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 30797828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).