3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C14H20Cl2N2O2S — CID 106630300

IUPAC3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-18(10-11-5-3-4-8-17-11)21(19,20)12-6-7-13(15)14(16)9-12/h6-7,9,11,17H,2-5,8,10H2,1H3
InChIKeyOLJVBMGAFJJMBE-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.15
Rot. Bonds5

About 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630300) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630300
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-18(10-11-5-3-4-8-17-11)21(19,20)12-6-7-13(15)14(16)9-12/h6-7,9,11,17H,2-5,8,10H2,1H3
InChIKeyOLJVBMGAFJJMBE-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
3-(azepan-2-ylmethylideneamino)-4-chloro-N,N-diethylbenzenesulfonamide
CID 101272325
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630300) is 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OLJVBMGAFJJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-2-18(10-11-5-3-4-8-17-11)21(19,20)12-6-7-13(15)14(16)9-12/h6-7,9,11,17H,2-5,8,10H2,1H3.
What are the key properties of 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).