N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide

C18H21ClN2O4S — CID 8615539

IUPACN'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-12(2)13-5-8-15(9-6-13)26(23,24)21-20-18(22)16-11-14(19)7-10-17(16)25-3/h5-12,21H,4H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyASGAWTMFOQNHEW-LBPRGKRZSA-N
MW396.90 g/mol
LogP3.49
Rot. Bonds7

About N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide

N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide (PubChem CID 8615539) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
PubChem CID8615539
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-12(2)13-5-8-15(9-6-13)26(23,24)21-20-18(22)16-11-14(19)7-10-17(16)25-3/h5-12,21H,4H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyASGAWTMFOQNHEW-LBPRGKRZSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.49
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-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
5-chloro-N'-(4-cyclohexylphenyl)sulfonyl-2-methoxybenzohydrazide
CID 8615574
4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24636094
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
CID 8615100
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
CID 89323080
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide?
The IUPAC name of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide (CID 8615539) is N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide?
The canonical SMILES for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide is CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide?
The InChIKey is ASGAWTMFOQNHEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-12(2)13-5-8-15(9-6-13)26(23,24)21-20-18(22)16-11-14(19)7-10-17(16)25-3/h5-12,21H,4H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide?
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide has a molecular weight of 396.90 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide is sourced from PubChem (CID 8615539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).