3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

C13H14Cl2N2O3S — CID 110719783

IUPAC3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C13H14Cl2N2O3S/c14-11-4-3-10(6-12(11)15)21(19,20)16-8-5-13(18)17(7-8)9-1-2-9/h3-4,6,8-9,16H,1-2,5,7H2
InChIKeyFQKDGWPPKYYPEJ-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.04
Rot. Bonds4

About 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 110719783) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID110719783
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C13H14Cl2N2O3S/c14-11-4-3-10(6-12(11)15)21(19,20)16-8-5-13(18)17(7-8)9-1-2-9/h3-4,6,8-9,16H,1-2,5,7H2
InChIKeyFQKDGWPPKYYPEJ-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719814
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 95985260
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
CID 95985258
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 110719803
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357473
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 7564855
3,4-dichloro-N-[(3R)-2-oxothiolan-3-yl]benzenesulfonamide
CID 6927432
3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110719965

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 110719783) is 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is O=C1CC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CN1C1CC1.
What is the InChIKey of 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is FQKDGWPPKYYPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c14-11-4-3-10(6-12(11)15)21(19,20)16-8-5-13(18)17(7-8)9-1-2-9/h3-4,6,8-9,16H,1-2,5,7H2.
What are the key properties of 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 349.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110719783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).