3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide

C19H21N5O4S — CID 6303807

IUPAC3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide
SMILESCN1/C(=C\C=N/Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C(C)(C)c2ccccc21
InChIInChI=1S/C19H21N5O4S/c1-19(2)14-6-4-5-7-16(14)23(3)18(19)10-11-21-22-15-9-8-13(29(20,27)28)12-17(15)24(25)26/h4-12,22H,1-3H3,(H2,20,27,28)/b18-10-,21-11-
InChIKeyCJFVETUYPNRBGJ-OFEFNGSWSA-N
MW415.48 g/mol
LogP2.95
Rot. Bonds5

About 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide

3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 6303807) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID6303807
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide
SMILESCN1/C(=C\C=N/Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C(C)(C)c2ccccc21
InChIInChI=1S/C19H21N5O4S/c1-19(2)14-6-4-5-7-16(14)23(3)18(19)10-11-21-22-15-9-8-13(29(20,27)28)12-17(15)24(25)26/h4-12,22H,1-3H3,(H2,20,27,28)/b18-10-,21-11-
InChIKeyCJFVETUYPNRBGJ-OFEFNGSWSA-N
XLogP2.95
TPSA130.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dinitro-4-(trifluoromethyl)-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]aniline
CID 4073260
(2-methylindolizin-3-yl)-[3-nitro-4-[2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]phenyl]methanone
CID 4615012
2-chloro-5-[(2E)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzoate
CID 6901436
4-[2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4990748
N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 129431621
3-nitro-4-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 135752106
4-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6043053
4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4230490
2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
CID 6303781
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
4-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4077408
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide (CID 6303807) is 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide is CN1/C(=C\C=N/Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C(C)(C)c2ccccc21.
What is the InChIKey of 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is CJFVETUYPNRBGJ-OFEFNGSWSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-19(2)14-6-4-5-7-16(14)23(3)18(19)10-11-21-22-15-9-8-13(29(20,27)28)12-17(15)24(25)26/h4-12,22H,1-3H3,(H2,20,27,28)/b18-10-,21-11-.
What are the key properties of 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide?
3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 415.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 6303807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).