N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide

C17H19ClN2O3S — CID 8616616

IUPACN'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)13-7-9-16(10-8-13)24(22,23)20-19-17(21)14-5-4-6-15(18)11-14/h4-12,20H,3H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyPEDURZNQWIRDHM-LBPRGKRZSA-N
MW366.87 g/mol
LogP3.48
Rot. Bonds6

About N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide

N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide (PubChem CID 8616616) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
PubChem CID8616616
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)13-7-9-16(10-8-13)24(22,23)20-19-17(21)14-5-4-6-15(18)11-14/h4-12,20H,3H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyPEDURZNQWIRDHM-LBPRGKRZSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
CID 8615539
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
CID 8615100
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8616640
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617065
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 8624005
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide?
The IUPAC name of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide (CID 8616616) is N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide?
The canonical SMILES for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide is CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide?
The InChIKey is PEDURZNQWIRDHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-12(2)13-7-9-16(10-8-13)24(22,23)20-19-17(21)14-5-4-6-15(18)11-14/h4-12,20H,3H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide?
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide has a molecular weight of 366.87 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide is sourced from PubChem (CID 8616616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).