5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline

C14H21ClN2O3S — CID 114379262

IUPAC5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
SMILESCCOC1CCN(S(=O)(=O)c2cc(Cl)cc(N)c2C)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-20-12-4-6-17(7-5-12)21(18,19)14-9-11(15)8-13(16)10(14)2/h8-9,12H,3-7,16H2,1-2H3
InChIKeySZRWLCKSNXRENO-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.42
Rot. Bonds4

About 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline

5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline (PubChem CID 114379262) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline.

Molecular Properties

Compound Name5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
PubChem CID114379262
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
SMILESCCOC1CCN(S(=O)(=O)c2cc(Cl)cc(N)c2C)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-20-12-4-6-17(7-5-12)21(18,19)14-9-11(15)8-13(16)10(14)2/h8-9,12H,3-7,16H2,1-2H3
InChIKeySZRWLCKSNXRENO-UHFFFAOYSA-N
XLogP2.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
5-chloro-3-(4-ethylpiperazin-1-yl)sulfonyl-2-methylaniline
CID 114378540
1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol
CID 107212153
3-(3-tert-butylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methylaniline
CID 114380136
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 61219951
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313313

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline?
The IUPAC name of 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline (CID 114379262) is 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline.
What is the SMILES notation for 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline?
The canonical SMILES for 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline is CCOC1CCN(S(=O)(=O)c2cc(Cl)cc(N)c2C)CC1.
What is the InChIKey of 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline?
The InChIKey is SZRWLCKSNXRENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-20-12-4-6-17(7-5-12)21(18,19)14-9-11(15)8-13(16)10(14)2/h8-9,12H,3-7,16H2,1-2H3.
What are the key properties of 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline?
5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline has a molecular weight of 332.85 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline is sourced from PubChem (CID 114379262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).