N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

C18H20N2O4S — CID 20921805

IUPACN-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C18H20N2O4S/c1-18(2)14-10-13(8-9-15(14)20-17(18)21)25(22,23)19-11-12-6-4-5-7-16(12)24-3/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyIIEBOAVMVBTDIQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.40
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 20921805) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID20921805
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C18H20N2O4S/c1-18(2)14-10-13(8-9-15(14)20-17(18)21)25(22,23)19-11-12-6-4-5-7-16(12)24-3/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyIIEBOAVMVBTDIQ-UHFFFAOYSA-N
XLogP2.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112992769
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (CID 20921805) is N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is IIEBOAVMVBTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-18(2)14-10-13(8-9-15(14)20-17(18)21)25(22,23)19-11-12-6-4-5-7-16(12)24-3/h4-10,19H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 20921805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).