5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide

C18H19ClN2O4S — CID 110406161

IUPAC5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(C(C)C)C(=O)N2
InChIInChI=1S/C18H19ClN2O4S/c1-10(2)17-13-9-12(5-6-14(13)20-18(17)22)21-26(23,24)16-8-11(19)4-7-15(16)25-3/h4-10,17,21H,1-3H3,(H,20,22)
InChIKeyZVXAPAXTXSVYRU-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.84
Rot. Bonds5

About 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 110406161) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID110406161
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(C(C)C)C(=O)N2
InChIInChI=1S/C18H19ClN2O4S/c1-10(2)17-13-9-12(5-6-14(13)20-18(17)22)21-26(23,24)16-8-11(19)4-7-15(16)25-3/h4-10,17,21H,1-3H3,(H,20,22)
InChIKeyZVXAPAXTXSVYRU-UHFFFAOYSA-N
XLogP3.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406127
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405976
3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405985
5-chloro-N-dibenzofuran-3-yl-2-methoxybenzenesulfonamide
CID 100554095
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide
CID 71272125
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide (CID 110406161) is 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(C(C)C)C(=O)N2.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is ZVXAPAXTXSVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-10(2)17-13-9-12(5-6-14(13)20-18(17)22)21-26(23,24)16-8-11(19)4-7-15(16)25-3/h4-10,17,21H,1-3H3,(H,20,22).
What are the key properties of 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110406161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).