4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide

C17H26N2O2S — CID 27511993

IUPAC4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide
SMILESC[C@@H]1CCC/C(=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H26N2O2S/c1-13-6-5-7-15(12-13)18-19-22(20,21)16-10-8-14(9-11-16)17(2,3)4/h8-11,13,19H,5-7,12H2,1-4H3/b18-15-/t13-/m1/s1
InChIKeyRVKVLFCVUNGMMT-ZLMULJHYSA-N
MW322.47 g/mol
LogP3.83
Rot. Bonds3

About 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide

4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide (PubChem CID 27511993) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide
PubChem CID27511993
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide
SMILESC[C@@H]1CCC/C(=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H26N2O2S/c1-13-6-5-7-15(12-13)18-19-22(20,21)16-10-8-14(9-11-16)17(2,3)4/h8-11,13,19H,5-7,12H2,1-4H3/b18-15-/t13-/m1/s1
InChIKeyRVKVLFCVUNGMMT-ZLMULJHYSA-N
XLogP3.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.83
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-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
CID 6376188
4-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-3-nitrobenzenesulfonamide
CID 9070448
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide
CID 52613203
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 5045363
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
CID 1012381
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
tert-butyl N-methyl-N-[(3Z)-3-[(4-methylphenyl)sulfonylhydrazinylidene]cyclopentyl]carbamate
CID 172552285
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide (CID 27511993) is 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide is C[C@@H]1CCC/C(=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide?
The InChIKey is RVKVLFCVUNGMMT-ZLMULJHYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-6-5-7-15(12-13)18-19-22(20,21)16-10-8-14(9-11-16)17(2,3)4/h8-11,13,19H,5-7,12H2,1-4H3/b18-15-/t13-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide?
4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide is sourced from PubChem (CID 27511993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).