N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide

C15H20N2O3S — CID 56731558

IUPACN-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC2)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C15H20N2O3S/c1-9-7-11(21(19,20)16-10-5-6-10)8-12-13(9)17(4)14(18)15(12,2)3/h7-8,10,16H,5-6H2,1-4H3
InChIKeyBJWCQPJTLROQKV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.69
Rot. Bonds3

About N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide

N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide (PubChem CID 56731558) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
PubChem CID56731558
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC2)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C15H20N2O3S/c1-9-7-11(21(19,20)16-10-5-6-10)8-12-13(9)17(4)14(18)15(12,2)3/h7-8,10,16H,5-6H2,1-4H3
InChIKeyBJWCQPJTLROQKV-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide (CID 56731558) is N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide is Cc1cc(S(=O)(=O)NC2CC2)cc2c1N(C)C(=O)C2(C)C.
What is the InChIKey of N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
The InChIKey is BJWCQPJTLROQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9-7-11(21(19,20)16-10-5-6-10)8-12-13(9)17(4)14(18)15(12,2)3/h7-8,10,16H,5-6H2,1-4H3.
What are the key properties of N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 56731558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).