N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide

C12H18N2O4S — CID 42637465

IUPACN,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
SMILESCc1ccc(S(=O)(=O)/N=C/N(CCO)CCO)cc1
InChIInChI=1S/C12H18N2O4S/c1-11-2-4-12(5-3-11)19(17,18)13-10-14(6-8-15)7-9-16/h2-5,10,15-16H,6-9H2,1H3/b13-10+
InChIKeyRJFAYXOFIRVCEX-JLHYYAGUSA-N
MW286.35 g/mol
LogP-0.00
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide

N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide (PubChem CID 42637465) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
PubChem CID42637465
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
SMILESCc1ccc(S(=O)(=O)/N=C/N(CCO)CCO)cc1
InChIInChI=1S/C12H18N2O4S/c1-11-2-4-12(5-3-11)19(17,18)13-10-14(6-8-15)7-9-16/h2-5,10,15-16H,6-9H2,1H3/b13-10+
InChIKeyRJFAYXOFIRVCEX-JLHYYAGUSA-N
XLogP-0.00
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide
CID 42637466
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
CID 11313119
(NZ)-N-[ethyl(2-hydroxyethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 134928927
N-butan-2-yl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 112517569

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide (CID 42637465) is N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide is Cc1ccc(S(=O)(=O)/N=C/N(CCO)CCO)cc1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide?
The InChIKey is RJFAYXOFIRVCEX-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-11-2-4-12(5-3-11)19(17,18)13-10-14(6-8-15)7-9-16/h2-5,10,15-16H,6-9H2,1H3/b13-10+.
What are the key properties of N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide?
N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide has a molecular weight of 286.35 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide is sourced from PubChem (CID 42637465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).