N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide

C8H7Cl3N2O2S — CID 34555254

IUPACN'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
SMILESNC(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H7Cl3N2O2S/c9-8(10,11)7(12)13-16(14,15)6-4-2-1-3-5-6/h1-5H,(H2,12,13)
InChIKeyWIPOZBUSLLPTSR-UHFFFAOYSA-N
MW301.58 g/mol
LogP2.10
Rot. Bonds2

About N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide

N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide (PubChem CID 34555254) has the molecular formula C8H7Cl3N2O2S and a molecular weight of 301.58 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
PubChem CID34555254
Molecular FormulaC8H7Cl3N2O2S
Molecular Weight301.58 g/mol
Exact Mass299.93
IUPAC NameN'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
SMILESNC(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H7Cl3N2O2S/c9-8(10,11)7(12)13-16(14,15)6-4-2-1-3-5-6/h1-5H,(H2,12,13)
InChIKeyWIPOZBUSLLPTSR-UHFFFAOYSA-N
XLogP2.10
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-2,2,2-trichloro-N'-propan-2-ylethanimidamide
CID 1589547
N-(2,2,2-trichloro-N-isobutylethanimidoyl)benzenesulfonamide
CID 1589551
N-[amino(imino)methyl]benzenesulfonamide
CID 78104
N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-lambda5-phosphanylidene)ethanimidamide
CID 135083255
Ifqnrruwyrjnbq-qpeqyqdcsa-
CID 11393061
2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
CID 2974867
N'-(2,2,2-Trifluoroethanimidoyl)benzenesulfonohydrazide
CID 9561772
2-Amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride
CID 123840792
2-amino-2-(4-fluorophenyl)sulfonylimino-N-methylethanimidoyl chloride
CID 173381631
(Benzenesulfonyl)carbonimidoyl
CID 12364817
(NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide
CID 23260965
N-(2,2,2-Trichloroethylidene)benzenesulfonamide
CID 71364086

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide?
The IUPAC name of N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide (CID 34555254) is N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide is NC(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide?
The InChIKey is WIPOZBUSLLPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O2S/c9-8(10,11)7(12)13-16(14,15)6-4-2-1-3-5-6/h1-5H,(H2,12,13).
What are the key properties of N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide?
N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide has a molecular weight of 301.58 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide is sourced from PubChem (CID 34555254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).