N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide

C34H38N4O2S — CID 58753464

IUPACN'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide
SMILESCCN(CC)/C(=N\c1ccc(S(=O)(=O)c2ccc(/N=C(/c3ccccc3)N(CC)CC)cc2)cc1)c1ccccc1
InChIInChI=1S/C34H38N4O2S/c1-5-37(6-2)33(27-15-11-9-12-16-27)35-29-19-23-31(24-20-29)41(39,40)32-25-21-30(22-26-32)36-34(38(7-3)8-4)28-17-13-10-14-18-28/h9-26H,5-8H2,1-4H3/b35-33-,36-34-
InChIKeyNCJFVMUDPJJHJV-SGRXOXICSA-N
MW566.77 g/mol
LogP7.36
Rot. Bonds10

About N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide

N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide (PubChem CID 58753464) has the molecular formula C34H38N4O2S and a molecular weight of 566.77 g/mol. Its IUPAC name is N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide
PubChem CID58753464
Molecular FormulaC34H38N4O2S
Molecular Weight566.77 g/mol
Exact Mass566.27
IUPAC NameN'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide
SMILESCCN(CC)/C(=N\c1ccc(S(=O)(=O)c2ccc(/N=C(/c3ccccc3)N(CC)CC)cc2)cc1)c1ccccc1
InChIInChI=1S/C34H38N4O2S/c1-5-37(6-2)33(27-15-11-9-12-16-27)35-29-19-23-31(24-20-29)41(39,40)32-25-21-30(22-26-32)36-34(38(7-3)8-4)28-17-13-10-14-18-28/h9-26H,5-8H2,1-4H3/b35-33-,36-34-
InChIKeyNCJFVMUDPJJHJV-SGRXOXICSA-N
XLogP7.36
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.77
LogP ≤ 57.36
H-Bond Donors ≤ 50
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'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
CID 6020592
2-(N,N-diethyl-N'-phenylcarbamimidoyl)benzenecarbothioic S-acid
CID 88666672
[diethylamino(phenyl)methylidene]carbamothioylcarbamic acid
CID 173131051
N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide
CID 90791019
N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide
CID 4271791
N'-(4-methylphenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenecarboximidamide;hydrochloride
CID 163339519
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
benzenesulfonylbenzene;ethane;methanol
CID 123145310
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
N'-(benzenesulfonyl)-N,N-di(pentan-2-yl)benzenecarboximidamide
CID 18477611
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide?
The IUPAC name of N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide (CID 58753464) is N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide.
What is the SMILES notation for N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide?
The canonical SMILES for N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide is CCN(CC)/C(=N\c1ccc(S(=O)(=O)c2ccc(/N=C(/c3ccccc3)N(CC)CC)cc2)cc1)c1ccccc1.
What is the InChIKey of N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide?
The InChIKey is NCJFVMUDPJJHJV-SGRXOXICSA-N. The full InChI is InChI=1S/C34H38N4O2S/c1-5-37(6-2)33(27-15-11-9-12-16-27)35-29-19-23-31(24-20-29)41(39,40)32-25-21-30(22-26-32)36-34(38(7-3)8-4)28-17-13-10-14-18-28/h9-26H,5-8H2,1-4H3/b35-33-,36-34-.
What are the key properties of N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide?
N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide has a molecular weight of 566.77 g/mol, XLogP of 7.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide is sourced from PubChem (CID 58753464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).