N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide

C14H10Cl2N2O5S — CID 8523762

IUPACN'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10Cl2N2O5S/c15-9-2-1-3-12(13(9)16)24(20,21)18-17-14(19)8-4-5-10-11(6-8)23-7-22-10/h1-6,18H,7H2,(H,17,19)
InChIKeyTUKIIAQANKQYSC-UHFFFAOYSA-N
MW389.22 g/mol
LogP2.35
Rot. Bonds4

About N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide

N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide (PubChem CID 8523762) has the molecular formula C14H10Cl2N2O5S and a molecular weight of 389.22 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
PubChem CID8523762
Molecular FormulaC14H10Cl2N2O5S
Molecular Weight389.22 g/mol
Exact Mass387.97
IUPAC NameN'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10Cl2N2O5S/c15-9-2-1-3-12(13(9)16)24(20,21)18-17-14(19)8-4-5-10-11(6-8)23-7-22-10/h1-6,18H,7H2,(H,17,19)
InChIKeyTUKIIAQANKQYSC-UHFFFAOYSA-N
XLogP2.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24650914
N'-(2,4,6-trimethylphenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 17436088
N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523745
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-chlorophenyl]methanesulfonamide
CID 49014753
(Z)-2-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)prop-2-enoic acid
CID 83955485
N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 8890859
5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methylbenzenesulfonamide
CID 9084706
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907884
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide (CID 8523762) is N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide is O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is TUKIIAQANKQYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O5S/c15-9-2-1-3-12(13(9)16)24(20,21)18-17-14(19)8-4-5-10-11(6-8)23-7-22-10/h1-6,18H,7H2,(H,17,19).
What are the key properties of N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide?
N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 389.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 8523762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).