3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide

C14H21ClN2O5S2 — CID 110287612

IUPAC3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O5S2/c1-22-14-6-5-12(11-13(14)15)24(20,21)16-7-10-23(18,19)17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyAKMBYUJTYPBCKI-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.44
Rot. Bonds7

About 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide (PubChem CID 110287612) has the molecular formula C14H21ClN2O5S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
PubChem CID110287612
Molecular FormulaC14H21ClN2O5S2
Molecular Weight396.92 g/mol
Exact Mass396.06
IUPAC Name3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O5S2/c1-22-14-6-5-12(11-13(14)15)24(20,21)16-7-10-23(18,19)17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyAKMBYUJTYPBCKI-UHFFFAOYSA-N
XLogP1.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide 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

3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]benzenesulfonamide
CID 110345304
N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342661
N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110287605
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722675
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide (CID 110287612) is 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is AKMBYUJTYPBCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O5S2/c1-22-14-6-5-12(11-13(14)15)24(20,21)16-7-10-23(18,19)17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 396.92 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 110287612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).