4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide

C18H19ClN2O2S — CID 3470758

IUPAC4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
SMILESO=S(=O)(NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c19-16-8-12-18(13-9-16)24(22,23)21-20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,8-9,12-13,15,21H,6-7,10-11H2/b20-17-
InChIKeyQCOAOIJSHIGQCM-JZJYNLBNSA-N
MW362.88 g/mol
LogP4.33
Rot. Bonds4

About 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide

4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide (PubChem CID 3470758) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
PubChem CID3470758
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
SMILESO=S(=O)(NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2S/c19-16-8-12-18(13-9-16)24(22,23)21-20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,8-9,12-13,15,21H,6-7,10-11H2/b20-17-
InChIKeyQCOAOIJSHIGQCM-JZJYNLBNSA-N
XLogP4.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-[(1-benzylpiperidin-4-ylidene)amino]-4-chlorobenzenesulfonamide
CID 3438181
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
CID 6376188
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
CID 134382089
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide
CID 71694012
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692353

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide (CID 3470758) is 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide is O=S(=O)(NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
The InChIKey is QCOAOIJSHIGQCM-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-16-8-12-18(13-9-16)24(22,23)21-20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,8-9,12-13,15,21H,6-7,10-11H2/b20-17-.
What are the key properties of 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide?
4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide has a molecular weight of 362.88 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide is sourced from PubChem (CID 3470758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).