(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide

C18H18N4O4S — CID 5331097

IUPAC(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2
InChIInChI=1S/C18H18N4O4S/c1-22(2)27(25,26)10-3-4-15-12(7-10)13(18(24)21-15)8-16-11-5-6-19-17(23)14(11)9-20-16/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,23)(H,21,24)/b13-8-
InChIKeySWGQJKHVIKZNMY-JYRVWZFOSA-N
MW386.43 g/mol
LogP1.04
Rot. Bonds3

About (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide

(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide (PubChem CID 5331097) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide
PubChem CID5331097
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2
InChIInChI=1S/C18H18N4O4S/c1-22(2)27(25,26)10-3-4-15-12(7-10)13(18(24)21-15)8-16-11-5-6-19-17(23)14(11)9-20-16/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,23)(H,21,24)/b13-8-
InChIKeySWGQJKHVIKZNMY-JYRVWZFOSA-N
XLogP1.04
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide with MolForge

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Related Compounds

SU11274
CID 9549297
Oxsi-2
CID 6419747
SU6656
CID 5312137
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
3-Substituted indolin-2-one 11c
CID 5329140
Indolin-2-one deriv. 4c
CID 5329156
(3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331082
(3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331083
(3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-N-(propan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331084
(3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331085
(3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331096
(3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331099

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide (CID 5331097) is (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2.
What is the InChIKey of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?
The InChIKey is SWGQJKHVIKZNMY-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-22(2)27(25,26)10-3-4-15-12(7-10)13(18(24)21-15)8-16-11-5-6-19-17(23)14(11)9-20-16/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,23)(H,21,24)/b13-8-.
What are the key properties of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?
(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide has a molecular weight of 386.43 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 5331097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).