3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide

C18H20N4O4S — CID 70353826

IUPAC3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C2Nc3cc4c(cc3N2)C(C)C(=O)N4)c(OC)c1
InChIInChI=1S/C18H20N4O4S/c1-9-12-7-14-15(8-13(12)22-18(9)23)21-17(20-14)11-5-4-10(6-16(11)26-3)27(24,25)19-2/h4-9,17,19-21H,1-3H3,(H,22,23)
InChIKeySGLXODHVOSLTBG-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.20
Rot. Bonds4

About 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide

3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide (PubChem CID 70353826) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide
PubChem CID70353826
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C2Nc3cc4c(cc3N2)C(C)C(=O)N4)c(OC)c1
InChIInChI=1S/C18H20N4O4S/c1-9-12-7-14-15(8-13(12)22-18(9)23)21-17(20-14)11-5-4-10(6-16(11)26-3)27(24,25)19-2/h4-9,17,19-21H,1-3H3,(H,22,23)
InChIKeySGLXODHVOSLTBG-UHFFFAOYSA-N
XLogP2.20
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405985
4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9189287
N-[4-(7,7-dimethyl-6-oxo-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide
CID 70353459
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405976
N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide
CID 67937734
(3R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188708
(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
CID 9330071
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide (CID 70353826) is 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(C2Nc3cc4c(cc3N2)C(C)C(=O)N4)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide?
The InChIKey is SGLXODHVOSLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-9-12-7-14-15(8-13(12)22-18(9)23)21-17(20-14)11-5-4-10(6-16(11)26-3)27(24,25)19-2/h4-9,17,19-21H,1-3H3,(H,22,23).
What are the key properties of 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide?
3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70353826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).