2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide

C10H12Cl2N2O2S — CID 71889820

IUPAC2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-14(10)17(13,15)16/h3-4,6,10H,1-2,5H2,(H2,13,15,16)
InChIKeyYXBUPWFGYMBDDK-UHFFFAOYSA-N
MW295.19 g/mol
LogP2.33
Rot. Bonds2

About 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide

2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide (PubChem CID 71889820) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide
PubChem CID71889820
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-14(10)17(13,15)16/h3-4,6,10H,1-2,5H2,(H2,13,15,16)
InChIKeyYXBUPWFGYMBDDK-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
CID 154771448
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 94418866
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674061
3-cyclopentylsulfonyl-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
CID 71889361
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
(E)-4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 60948473
2-[[2-chloro-4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]sulfonylanilino]methyl]-3,3,3-trifluoropropan-1-ol
CID 166388571

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide (CID 71889820) is 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide?
The InChIKey is YXBUPWFGYMBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-14(10)17(13,15)16/h3-4,6,10H,1-2,5H2,(H2,13,15,16).
What are the key properties of 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide?
2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide has a molecular weight of 295.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71889820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).