N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide

C18H21ClN2O4S — CID 8615100

IUPACN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-13(2)14-4-10-17(11-5-14)26(23,24)21-20-18(22)12-25-16-8-6-15(19)7-9-16/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeySHBQLRRCWXGGBG-CYBMUJFWSA-N
MW396.90 g/mol
LogP3.24
Rot. Bonds8

About N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide

N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide (PubChem CID 8615100) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
PubChem CID8615100
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-13(2)14-4-10-17(11-5-14)26(23,24)21-20-18(22)12-25-16-8-6-15(19)7-9-16/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeySHBQLRRCWXGGBG-CYBMUJFWSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.24
H-Bond Donors ≤ 52
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'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8614236
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
CID 8615539
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552865
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide?
The IUPAC name of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide (CID 8615100) is N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide?
The canonical SMILES for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide is CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide?
The InChIKey is SHBQLRRCWXGGBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-13(2)14-4-10-17(11-5-14)26(23,24)21-20-18(22)12-25-16-8-6-15(19)7-9-16/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide?
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide has a molecular weight of 396.90 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide is sourced from PubChem (CID 8615100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).