N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide

C23H29N3O3S — CID 23966686

IUPACN,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=C2\C(=O)N(CCC(C)C)c3ccccc32)cc1
InChIInChI=1S/C23H29N3O3S/c1-5-25(6-2)30(28,29)19-13-11-18(12-14-19)24-22-20-9-7-8-10-21(20)26(23(22)27)16-15-17(3)4/h7-14,17H,5-6,15-16H2,1-4H3/b24-22-
InChIKeySVUJNRRMFOXHMI-GYHWCHFESA-N
MW427.57 g/mol
LogP4.23
Rot. Bonds8

About N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide

N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide (PubChem CID 23966686) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide
PubChem CID23966686
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=C2\C(=O)N(CCC(C)C)c3ccccc32)cc1
InChIInChI=1S/C23H29N3O3S/c1-5-25(6-2)30(28,29)19-13-11-18(12-14-19)24-22-20-9-7-8-10-21(20)26(23(22)27)16-15-17(3)4/h7-14,17H,5-6,15-16H2,1-4H3/b24-22-
InChIKeySVUJNRRMFOXHMI-GYHWCHFESA-N
XLogP4.23
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-phenyliminoindol-2-one
CID 23936952
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one
CID 23995208
1-methyl-3-phenyliminoindol-2-one
CID 11218587
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(4-ethylphenyl)iminoindol-2-one
CID 17385505
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
CID 110424746
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
methyl 4-[(1-benzyl-2-oxoindol-3-ylidene)amino]benzoate
CID 23826464

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide (CID 23966686) is N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(/N=C2\C(=O)N(CCC(C)C)c3ccccc32)cc1.
What is the InChIKey of N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide?
The InChIKey is SVUJNRRMFOXHMI-GYHWCHFESA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-5-25(6-2)30(28,29)19-13-11-18(12-14-19)24-22-20-9-7-8-10-21(20)26(23(22)27)16-15-17(3)4/h7-14,17H,5-6,15-16H2,1-4H3/b24-22-.
What are the key properties of N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide?
N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 23966686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).