3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

C16H15ClN2O4S — CID 110405985

IUPAC3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)C(=O)N3)cc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-9-12-7-10(3-5-14(12)18-16(9)20)19-24(21,22)11-4-6-15(23-2)13(17)8-11/h3-9,19H,1-2H3,(H,18,20)
InChIKeyICKOFZWGZSFJPV-UHFFFAOYSA-N
MW366.83 g/mol
LogP3.20
Rot. Bonds4

About 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 110405985) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID110405985
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)C(=O)N3)cc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-9-12-7-10(3-5-14(12)18-16(9)20)19-24(21,22)11-4-6-15(23-2)13(17)8-11/h3-9,19H,1-2H3,(H,18,20)
InChIKeyICKOFZWGZSFJPV-UHFFFAOYSA-N
XLogP3.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405976
4-methoxy-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406127
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
1-methyl-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110406005
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
CID 110730867
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (CID 110405985) is 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)C(=O)N3)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is ICKOFZWGZSFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-9-12-7-10(3-5-14(12)18-16(9)20)19-24(21,22)11-4-6-15(23-2)13(17)8-11/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110405985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).