3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide

C63H60Cl3N11O19S6 — CID 91204017

IUPAC3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
SMILESCNNOc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)cc1.COOCc1cc([N+](=O)[O-])c2cnn(C(=O)NNc3ccc(NS(=O)(=O)c4cccc(NS(=O)(=O)c5cccc(C)c5)c4)cc3)c2c1.Cc1cccc(S(=O)(=O)Cl)c1.O=C(Cl)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C29H27N7O9S2.C20H22N4O5S2.C7H4Cl2O3S.C7H7ClO2S/c1-19-5-3-7-24(13-19)46(40,41)34-23-6-4-8-25(16-23)47(42,43)33-22-11-9-21(10-12-22)31-32-29(37)35-27-14-20(18-45-44-2)15-28(36(38)39)26(27)17-30-35;1-15-5-3-7-19(13-15)30(25,26)23-17-6-4-8-20(14-17)31(27,28)22-16-9-11-18(12-10-16)29-24-21-2;8-7(10)5-2-1-3-6(4-5)13(9,11)12;1-6-3-2-4-7(5-6)11(8,9)10/h3-17,31,33-34H,18H2,1-2H3,(H,32,37);3-14,21-24H,1-2H3;1-4H;2-5H,1H3
InChIKeyNVUQPGIUFBZGRP-UHFFFAOYSA-N
MW1573.99 g/mol
LogP11.05
Rot. Bonds24

About 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide

3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 91204017) has the molecular formula C63H60Cl3N11O19S6 and a molecular weight of 1573.99 g/mol. Its IUPAC name is 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
PubChem CID91204017
Molecular FormulaC63H60Cl3N11O19S6
Molecular Weight1573.99 g/mol
Exact Mass1571.15
IUPAC Name3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
SMILESCNNOc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)cc1.COOCc1cc([N+](=O)[O-])c2cnn(C(=O)NNc3ccc(NS(=O)(=O)c4cccc(NS(=O)(=O)c5cccc(C)c5)c4)cc3)c2c1.Cc1cccc(S(=O)(=O)Cl)c1.O=C(Cl)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C29H27N7O9S2.C20H22N4O5S2.C7H4Cl2O3S.C7H7ClO2S/c1-19-5-3-7-24(13-19)46(40,41)34-23-6-4-8-25(16-23)47(42,43)33-22-11-9-21(10-12-22)31-32-29(37)35-27-14-20(18-45-44-2)15-28(36(38)39)26(27)17-30-35;1-15-5-3-7-19(13-15)30(25,26)23-17-6-4-8-20(14-17)31(27,28)22-16-9-11-18(12-10-16)29-24-21-2;8-7(10)5-2-1-3-6(4-5)13(9,11)12;1-6-3-2-4-7(5-6)11(8,9)10/h3-17,31,33-34H,18H2,1-2H3,(H,32,37);3-14,21-24H,1-2H3;1-4H;2-5H,1H3
InChIKeyNVUQPGIUFBZGRP-UHFFFAOYSA-N
XLogP11.05
TPSA423.87 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.99
LogP ≤ 511.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

Methyl 1-[[4-[[3-[(3-methylphenyl)sulfonylamino]phenyl]sulfonylamino]anilino]carbamoyl]-4-nitroindazole-6-carboxylate
CID 23566007

Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide (CID 91204017) is 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide is CNNOc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)cc1.COOCc1cc([N+](=O)[O-])c2cnn(C(=O)NNc3ccc(NS(=O)(=O)c4cccc(NS(=O)(=O)c5cccc(C)c5)c4)cc3)c2c1.Cc1cccc(S(=O)(=O)Cl)c1.O=C(Cl)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is NVUQPGIUFBZGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O9S2.C20H22N4O5S2.C7H4Cl2O3S.C7H7ClO2S/c1-19-5-3-7-24(13-19)46(40,41)34-23-6-4-8-25(16-23)47(42,43)33-22-11-9-21(10-12-22)31-32-29(37)35-27-14-20(18-45-44-2)15-28(36(38)39)26(27)17-30-35;1-15-5-3-7-19(13-15)30(25,26)23-17-6-4-8-20(14-17)31(27,28)22-16-9-11-18(12-10-16)29-24-21-2;8-7(10)5-2-1-3-6(4-5)13(9,11)12;1-6-3-2-4-7(5-6)11(8,9)10/h3-17,31,33-34H,18H2,1-2H3,(H,32,37);3-14,21-24H,1-2H3;1-4H;2-5H,1H3.
What are the key properties of 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide?
3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 1573.99 g/mol, XLogP of 11.05, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonylbenzoyl chloride;3-methylbenzenesulfonyl chloride;3-methyl-N-[3-[[4-(2-methylhydrazinyl)oxyphenyl]sulfamoyl]phenyl]benzenesulfonamide;3-methyl-N-[3-[[4-[2-[6-(methylperoxymethyl)-4-nitroindazole-1-carbonyl]hydrazinyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 91204017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).