2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

C12H14Cl2N2O3S — CID 65388192

IUPAC2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-7-3-2-4-16(7)12(17)9-5-8(13)6-10(11(9)14)20(15,18)19/h5-7H,2-4H2,1H3,(H2,15,18,19)
InChIKeyWCXHQFLEXKEWMF-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.27
Rot. Bonds2

About 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 65388192) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID65388192
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-7-3-2-4-16(7)12(17)9-5-8(13)6-10(11(9)14)20(15,18)19/h5-7H,2-4H2,1H3,(H2,15,18,19)
InChIKeyWCXHQFLEXKEWMF-UHFFFAOYSA-N
XLogP2.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)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

2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382
5-chloro-2-methoxy-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372499
2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65373592
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
5-bromo-2-chloro-3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388766
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65373226
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65370004

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 65388192) is 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is CC1CCCN1C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WCXHQFLEXKEWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-7-3-2-4-16(7)12(17)9-5-8(13)6-10(11(9)14)20(15,18)19/h5-7H,2-4H2,1H3,(H2,15,18,19).
What are the key properties of 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 337.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65388192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).