4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide

C20H15Cl2N3O4S2 — CID 155676858

IUPAC4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1[nH]c2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O4S2/c21-13-5-9-15(10-6-13)30(26,27)19-17-3-1-2-4-18(17)23-20(19)24-25-31(28,29)16-11-7-14(22)8-12-16/h1-12,23-25H
InChIKeyTZROGTHJMDPKPM-UHFFFAOYSA-N
MW496.40 g/mol
LogP4.61
Rot. Bonds6

About 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide

4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide (PubChem CID 155676858) has the molecular formula C20H15Cl2N3O4S2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
PubChem CID155676858
Molecular FormulaC20H15Cl2N3O4S2
Molecular Weight496.40 g/mol
Exact Mass494.99
IUPAC Name4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
SMILESO=S(=O)(NNc1[nH]c2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O4S2/c21-13-5-9-15(10-6-13)30(26,27)19-17-3-1-2-4-18(17)23-20(19)24-25-31(28,29)16-11-7-14(22)8-12-16/h1-12,23-25H
InChIKeyTZROGTHJMDPKPM-UHFFFAOYSA-N
XLogP4.61
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
CID 155676859
3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
CID 68657749
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 155565781
4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 3021181
[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate
CID 67803505
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
9H-carbazole;sulfuryl dichloride
CID 158008992
3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 157344030
4-chloro-N-[cyclopropyl(1H-indol-3-yl)methyl]benzenesulfonamide
CID 138992000
3-(4-chlorophenyl)sulfonyl-4-hydroxychromen-2-one
CID 100945200
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
The IUPAC name of 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide (CID 155676858) is 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide is O=S(=O)(NNc1[nH]c2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
The InChIKey is TZROGTHJMDPKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O4S2/c21-13-5-9-15(10-6-13)30(26,27)19-17-3-1-2-4-18(17)23-20(19)24-25-31(28,29)16-11-7-14(22)8-12-16/h1-12,23-25H.
What are the key properties of 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide has a molecular weight of 496.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(4-chlorophenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide is sourced from PubChem (CID 155676858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).