N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide

C19H21ClFN3O3S — CID 167076494

IUPACN'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
SMILESCc1cccc(-c2cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C3CCC(N)C3)c2)c1
InChIInChI=1S/C19H21ClFN3O3S/c1-11-3-2-4-12(7-11)13-8-16(18(21)17(20)9-13)19(25)23-24-28(26,27)15-6-5-14(22)10-15/h2-4,7-9,14-15,24H,5-6,10,22H2,1H3,(H,23,25)
InChIKeyCWQJUWUEDQFOMT-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.90
Rot. Bonds5

About N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide

N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide (PubChem CID 167076494) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
PubChem CID167076494
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
SMILESCc1cccc(-c2cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C3CCC(N)C3)c2)c1
InChIInChI=1S/C19H21ClFN3O3S/c1-11-3-2-4-12(7-11)13-8-16(18(21)17(20)9-13)19(25)23-24-28(26,27)15-6-5-14(22)10-15/h2-4,7-9,14-15,24H,5-6,10,22H2,1H3,(H,23,25)
InChIKeyCWQJUWUEDQFOMT-UHFFFAOYSA-N
XLogP2.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-phenylbenzohydrazide
CID 124132194
5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 155569125
3-chloro-N'-[(1,4-dimethylpiperazin-2-yl)methylsulfonyl]-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076488
N'-(azepan-3-ylmethylsulfonyl)-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076556
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-(piperazin-2-ylmethylsulfonyl)benzohydrazide
CID 167076631
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-[(4-methylpiperazin-2-yl)methylsulfonyl]benzohydrazide
CID 167076714
tert-butyl N-[3-[[[3-chloro-2-fluoro-5-(3-methylphenyl)benzoyl]amino]sulfamoyl]cyclopentyl]carbamate
CID 167076746
3-chloro-2-fluoro-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 134581053
N'-[3-[benzyl(methyl)amino]propylsulfonyl]-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076280
2-fluoro-N'-[3-(methylamino)propylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076281
3-chloro-2-fluoro-N'-[3-(methylamino)propylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076283
3-chloro-N'-[(1-ethylpiperidin-3-yl)methylsulfonyl]-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076492

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide?
The IUPAC name of N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide (CID 167076494) is N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide.
What is the SMILES notation for N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide?
The canonical SMILES for N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide is Cc1cccc(-c2cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C3CCC(N)C3)c2)c1.
What is the InChIKey of N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide?
The InChIKey is CWQJUWUEDQFOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c1-11-3-2-4-12(7-11)13-8-16(18(21)17(20)9-13)19(25)23-24-28(26,27)15-6-5-14(22)10-15/h2-4,7-9,14-15,24H,5-6,10,22H2,1H3,(H,23,25).
What are the key properties of N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide?
N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide has a molecular weight of 425.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminocyclopentyl)sulfonyl-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide is sourced from PubChem (CID 167076494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).