3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide

C38H30N8O10S2 — CID 155514095

IUPAC3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide
SMILESCc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1
InChIInChI=1S/C38H30N8O10S2/c1-22-2-4-23(5-3-22)36(32-20-39-34-16-6-24(18-30(32)34)37(47)41-43-57(53,54)28-12-8-26(9-13-28)45(49)50)33-21-40-35-17-7-25(19-31(33)35)38(48)42-44-58(55,56)29-14-10-27(11-15-29)46(51)52/h2-21,36,39-40,43-44H,1H3,(H,41,47)(H,42,48)
InChIKeyRYINZWQRPONGJX-UHFFFAOYSA-N
MW822.84 g/mol
LogP5.20
Rot. Bonds13

About 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide

3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide (PubChem CID 155514095) has the molecular formula C38H30N8O10S2 and a molecular weight of 822.84 g/mol. Its IUPAC name is 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide.

Molecular Properties

Compound Name3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide
PubChem CID155514095
Molecular FormulaC38H30N8O10S2
Molecular Weight822.84 g/mol
Exact Mass822.15
IUPAC Name3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide
SMILESCc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1
InChIInChI=1S/C38H30N8O10S2/c1-22-2-4-23(5-3-22)36(32-20-39-34-16-6-24(18-30(32)34)37(47)41-43-57(53,54)28-12-8-26(9-13-28)45(49)50)33-21-40-35-17-7-25(19-31(33)35)38(48)42-44-58(55,56)29-14-10-27(11-15-29)46(51)52/h2-21,36,39-40,43-44H,1H3,(H,41,47)(H,42,48)
InChIKeyRYINZWQRPONGJX-UHFFFAOYSA-N
XLogP5.20
TPSA268.40 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500822.84
LogP ≤ 55.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide?
The IUPAC name of 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide (CID 155514095) is 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide.
What is the SMILES notation for 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide?
The canonical SMILES for 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide is Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide?
The InChIKey is RYINZWQRPONGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N8O10S2/c1-22-2-4-23(5-3-22)36(32-20-39-34-16-6-24(18-30(32)34)37(47)41-43-57(53,54)28-12-8-26(9-13-28)45(49)50)33-21-40-35-17-7-25(19-31(33)35)38(48)42-44-58(55,56)29-14-10-27(11-15-29)46(51)52/h2-21,36,39-40,43-44H,1H3,(H,41,47)(H,42,48).
What are the key properties of 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide?
3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide has a molecular weight of 822.84 g/mol, XLogP of 5.20, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)-[5-[[(4-nitrophenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-nitrophenyl)sulfonyl-1H-indole-5-carbohydrazide is sourced from PubChem (CID 155514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).