N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide

C19H22ClFN2O5S — CID 26952142

IUPACN'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)ccc1OCCC(C)C
InChIInChI=1S/C19H22ClFN2O5S/c1-12(2)8-9-28-16-6-4-13(10-17(16)27-3)19(24)22-23-29(25,26)18-7-5-14(20)11-15(18)21/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,24)
InChIKeySMKXUPFHYYNFJO-UHFFFAOYSA-N
MW444.91 g/mol
LogP3.54
Rot. Bonds9

About N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide

N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide (PubChem CID 26952142) has the molecular formula C19H22ClFN2O5S and a molecular weight of 444.91 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
PubChem CID26952142
Molecular FormulaC19H22ClFN2O5S
Molecular Weight444.91 g/mol
Exact Mass444.09
IUPAC NameN'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)ccc1OCCC(C)C
InChIInChI=1S/C19H22ClFN2O5S/c1-12(2)8-9-28-16-6-4-13(10-17(16)27-3)19(24)22-23-29(25,26)18-7-5-14(20)11-15(18)21/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,24)
InChIKeySMKXUPFHYYNFJO-UHFFFAOYSA-N
XLogP3.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.91
LogP ≤ 53.54
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

3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 26952120
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
CID 55353346
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide (CID 26952142) is N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)ccc1OCCC(C)C.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is SMKXUPFHYYNFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O5S/c1-12(2)8-9-28-16-6-4-13(10-17(16)27-3)19(24)22-23-29(25,26)18-7-5-14(20)11-15(18)21/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 444.91 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 26952142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).