4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide

C13H17ClN2O2S — CID 6376188

IUPAC4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
SMILESCC1CCC/C(=N\NS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2S/c1-10-3-2-4-12(9-10)15-16-19(17,18)13-7-5-11(14)6-8-13/h5-8,10,16H,2-4,9H2,1H3/b15-12+
InChIKeyAKLZITCECTUCBB-NTCAYCPXSA-N
MW300.81 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide

4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide (PubChem CID 6376188) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
PubChem CID6376188
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
SMILESCC1CCC/C(=N\NS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2S/c1-10-3-2-4-12(9-10)15-16-19(17,18)13-7-5-11(14)6-8-13/h5-8,10,16H,2-4,9H2,1H3/b15-12+
InChIKeyAKLZITCECTUCBB-NTCAYCPXSA-N
XLogP3.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.18
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-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide
CID 27511993
4-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-3-nitrobenzenesulfonamide
CID 9070448
4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3470758
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
N-[(1-benzylpiperidin-4-ylidene)amino]-4-chlorobenzenesulfonamide
CID 3438181
5-chloro-2-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27485277
5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 27485279
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide
CID 4744883
N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
CID 6530772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide (CID 6376188) is 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide is CC1CCC/C(=N\NS(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
The InChIKey is AKLZITCECTUCBB-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-10-3-2-4-12(9-10)15-16-19(17,18)13-7-5-11(14)6-8-13/h5-8,10,16H,2-4,9H2,1H3/b15-12+.
What are the key properties of 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide?
4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide has a molecular weight of 300.81 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6376188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).