3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C11H14Cl2N2O2S — CID 62540409

IUPAC3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c12-8-4-9(13)6-11(5-8)18(16,17)15-7-10-2-1-3-14-10/h4-6,10,14-15H,1-3,7H2
InChIKeySQMDCYZUSXUFDI-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.02
Rot. Bonds4

About 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 62540409) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID62540409
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c12-8-4-9(13)6-11(5-8)18(16,17)15-7-10-2-1-3-14-10/h4-6,10,14-15H,1-3,7H2
InChIKeySQMDCYZUSXUFDI-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)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

3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
CID 114295411
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 62540409) is 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCN1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is SQMDCYZUSXUFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c12-8-4-9(13)6-11(5-8)18(16,17)15-7-10-2-1-3-14-10/h4-6,10,14-15H,1-3,7H2.
What are the key properties of 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 62540409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).