N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide

C14H22N2O3S — CID 103521277

IUPACN-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide
SMILESC/C(=N/O)c1ccccc1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-11(15-17)12-7-5-6-8-13(12)16-20(18,19)10-9-14(2,3)4/h5-8,16-17H,9-10H2,1-4H3/b15-11-
InChIKeyCTLPAIUZSYKWRJ-PTNGSMBKSA-N
MW298.41 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide

N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521277) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521277
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide
SMILESC/C(=N/O)c1ccccc1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-11(15-17)12-7-5-6-8-13(12)16-20(18,19)10-9-14(2,3)4/h5-8,16-17H,9-10H2,1-4H3/b15-11-
InChIKeyCTLPAIUZSYKWRJ-PTNGSMBKSA-N
XLogP3.06
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
CID 24693382
N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727880
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide
CID 77046511
3-[4-[[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]sulfamoyl]phenyl]-2,2-dimethylpropanoic acid
CID 174762874
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-(3,3-dimethylbutylsulfonylamino)-6-fluorobenzenecarboximidamide
CID 103521962
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
CID 24707294
2-(butylsulfonylamino)benzamide
CID 17376030
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
CID 24702530
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521277) is N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide is C/C(=N/O)c1ccccc1NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is CTLPAIUZSYKWRJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(15-17)12-7-5-6-8-13(12)16-20(18,19)10-9-14(2,3)4/h5-8,16-17H,9-10H2,1-4H3/b15-11-.
What are the key properties of N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide?
N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).