2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C11H15Cl3N2O2S — CID 119978751

IUPAC2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c1-15(8-5-6-14-7-8)18(16,17)11-9(12)3-2-4-10(11)13;/h2-4,8,14H,5-7H2,1H3;1H
InChIKeyRESCTYJHNXZPQQ-UHFFFAOYSA-N
MW345.68 g/mol
LogP2.40
Rot. Bonds3

About 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119978751) has the molecular formula C11H15Cl3N2O2S and a molecular weight of 345.68 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119978751
Molecular FormulaC11H15Cl3N2O2S
Molecular Weight345.68 g/mol
Exact Mass343.99
IUPAC Name2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c1-15(8-5-6-14-7-8)18(16,17)11-9(12)3-2-4-10(11)13;/h2-4,8,14H,5-7H2,1H3;1H
InChIKeyRESCTYJHNXZPQQ-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642660
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709937
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
4-chloro-3-cyano-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978766

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119978751) is 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is RESCTYJHNXZPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S.ClH/c1-15(8-5-6-14-7-8)18(16,17)11-9(12)3-2-4-10(11)13;/h2-4,8,14H,5-7H2,1H3;1H.
What are the key properties of 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 345.68 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119978751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).