4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide

C17H17N3O4S — CID 57199096

IUPAC4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/C2C(=O)Nc3cccc(CO)c32)cc1
InChIInChI=1S/C17H17N3O4S/c18-25(23,24)13-6-4-11(5-7-13)8-19-9-14-16-12(10-21)2-1-3-15(16)20-17(14)22/h1-7,9,14,21H,8,10H2,(H,20,22)(H2,18,23,24)/b19-9+
InChIKeyWIRPMWYIHSMMOW-DJKKODMXSA-N
MW359.41 g/mol
LogP1.13
Rot. Bonds5

About 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide

4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide (PubChem CID 57199096) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide
PubChem CID57199096
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/C2C(=O)Nc3cccc(CO)c32)cc1
InChIInChI=1S/C17H17N3O4S/c18-25(23,24)13-6-4-11(5-7-13)8-19-9-14-16-12(10-21)2-1-3-15(16)20-17(14)22/h1-7,9,14,21H,8,10H2,(H,20,22)(H2,18,23,24)/b19-9+
InChIKeyWIRPMWYIHSMMOW-DJKKODMXSA-N
XLogP1.13
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 56991531
CID 56991531
CID 57282743
CID 57282743
CID 91895632
CID 91895632
CID 91898886
CID 91898886
CID 91898887
CID 91898887
CID 91898889
CID 91898889
CID 19692029
CID 19692029
CID 69843444
CID 69843444
CID 90698014
CID 90698014
CID 90791604
CID 90791604
CID 90827547
CID 90827547
CID 90829815
CID 90829815

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide (CID 57199096) is 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C/N=C/C2C(=O)Nc3cccc(CO)c32)cc1.
What is the InChIKey of 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide?
The InChIKey is WIRPMWYIHSMMOW-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17N3O4S/c18-25(23,24)13-6-4-11(5-7-13)8-19-9-14-16-12(10-21)2-1-3-15(16)20-17(14)22/h1-7,9,14,21H,8,10H2,(H,20,22)(H2,18,23,24)/b19-9+.
What are the key properties of 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide?
4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(hydroxymethyl)-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]methyl]benzenesulfonamide is sourced from PubChem (CID 57199096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).