N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide

C12H18N2O2S — CID 15562356

IUPACN,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/N=C/C(C)C)cc1
InChIInChI=1S/C12H18N2O2S/c1-10(2)9-13-14(4)17(15,16)12-7-5-11(3)6-8-12/h5-10H,1-4H3/b13-9+
InChIKeyJQIHHWXYBVOHTD-UKTHLTGXSA-N
MW254.36 g/mol
LogP2.26
Rot. Bonds4

About N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide

N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide (PubChem CID 15562356) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide
PubChem CID15562356
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC NameN,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)/N=C/C(C)C)cc1
InChIInChI=1S/C12H18N2O2S/c1-10(2)9-13-14(4)17(15,16)12-7-5-11(3)6-8-12/h5-10H,1-4H3/b13-9+
InChIKeyJQIHHWXYBVOHTD-UKTHLTGXSA-N
XLogP2.26
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
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

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-ethynyl-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 11356829
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 3273232
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide
CID 174431578
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 23960642
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47129065
(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
CID 5358535

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide (CID 15562356) is N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)/N=C/C(C)C)cc1.
What is the InChIKey of N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide?
The InChIKey is JQIHHWXYBVOHTD-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(2)9-13-14(4)17(15,16)12-7-5-11(3)6-8-12/h5-10H,1-4H3/b13-9+.
What are the key properties of N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide?
N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide is sourced from PubChem (CID 15562356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).