N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide

C13H17ClN2O3S — CID 695770

IUPACN'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,15,17)
InChIKeyDPNNDGCDQIZBSK-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.23
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide

N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide (PubChem CID 695770) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide
PubChem CID695770
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,15,17)
InChIKeyDPNNDGCDQIZBSK-UHFFFAOYSA-N
XLogP2.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.23
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

4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
CID 5323384
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
CID 8523809
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
N-pyridin-4-ylsulfonylcyclohexanecarboxamide
CID 71911683
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide (CID 695770) is N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide?
The InChIKey is DPNNDGCDQIZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-11-6-8-12(9-7-11)20(18,19)16-15-13(17)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,15,17).
What are the key properties of N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide?
N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide has a molecular weight of 316.81 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide is sourced from PubChem (CID 695770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).