N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide

C18H20N4O3S — CID 137003068

IUPACN-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/c1ccc(N(C)C)cc1)C(=O)N2
InChIInChI=1S/C18H20N4O3S/c1-4-26(24,25)21-13-7-10-16-15(11-13)17(18(23)20-16)19-12-5-8-14(9-6-12)22(2)3/h5-11,21H,4H2,1-3H3,(H,19,20,23)
InChIKeyBVTWXHNHTAUOJQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.59
Rot. Bonds5

About N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide

N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide (PubChem CID 137003068) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide
PubChem CID137003068
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/c1ccc(N(C)C)cc1)C(=O)N2
InChIInChI=1S/C18H20N4O3S/c1-4-26(24,25)21-13-7-10-16-15(11-13)17(18(23)20-16)19-12-5-8-14(9-6-12)22(2)3/h5-11,21H,4H2,1-3H3,(H,19,20,23)
InChIKeyBVTWXHNHTAUOJQ-UHFFFAOYSA-N
XLogP2.59
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide
CID 137003041
N-[3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]ethanesulfonamide
CID 153440412
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
CID 135559351
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402
N-(2-methyl-1,3-dioxoisoindol-5-yl)ethanesulfonamide
CID 60656195
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide (CID 137003068) is N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)/C(=N/c1ccc(N(C)C)cc1)C(=O)N2.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide?
The InChIKey is BVTWXHNHTAUOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-26(24,25)21-13-7-10-16-15(11-13)17(18(23)20-16)19-12-5-8-14(9-6-12)22(2)3/h5-11,21H,4H2,1-3H3,(H,19,20,23).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide?
N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]imino-2-oxo-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 137003068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).