3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide

C12H13ClN2O4S — CID 100762065

IUPAC3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O
InChIInChI=1S/C12H13ClN2O4S/c1-7-8(13)4-3-5-10(7)20(18,19)14-9-6-11(16)15(2)12(9)17/h3-5,9,14H,6H2,1-2H3/t9-/m1/s1
InChIKeyIATYHGXIQZOUKO-SECBINFHSA-N
MW316.77 g/mol
LogP0.68
Rot. Bonds3

About 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide

3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 100762065) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID100762065
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O
InChIInChI=1S/C12H13ClN2O4S/c1-7-8(13)4-3-5-10(7)20(18,19)14-9-6-11(16)15(2)12(9)17/h3-5,9,14H,6H2,1-2H3/t9-/m1/s1
InChIKeyIATYHGXIQZOUKO-SECBINFHSA-N
XLogP0.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 103171602
4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 79570373
3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
CID 129481910
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 105359048
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide
CID 79579380
3-chloro-2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522756
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide (CID 100762065) is 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O.
What is the InChIKey of 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is IATYHGXIQZOUKO-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClN2O4S/c1-7-8(13)4-3-5-10(7)20(18,19)14-9-6-11(16)15(2)12(9)17/h3-5,9,14H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 316.77 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 100762065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).