3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C15H23ClN2O2S — CID 106630366

IUPAC3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2O2S/c1-3-18(11-13-7-4-5-10-17-13)21(19,20)15-9-6-8-14(16)12(15)2/h6,8-9,13,17H,3-5,7,10-11H2,1-2H3
InChIKeyBHXLXTKOSUYDNA-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.80
Rot. Bonds5

About 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630366) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630366
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2O2S/c1-3-18(11-13-7-4-5-10-17-13)21(19,20)15-9-6-8-14(16)12(15)2/h6,8-9,13,17H,3-5,7,10-11H2,1-2H3
InChIKeyBHXLXTKOSUYDNA-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
N-ethyl-N-(pyrrolidin-2-ylmethyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 106608086
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630366) is 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCCN1)S(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BHXLXTKOSUYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-18(11-13-7-4-5-10-17-13)21(19,20)15-9-6-8-14(16)12(15)2/h6,8-9,13,17H,3-5,7,10-11H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).