2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide

C16H26ClN3O2S — CID 169368099

IUPAC2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C16H26ClN3O2S/c1-3-5-11-20(12-6-4-2)23(21,22)15-9-7-14(8-10-15)19-16(18)13-17/h7-10H,3-6,11-13H2,1-2H3,(H2,18,19)
InChIKeyUNZZELUXRPHQCY-UHFFFAOYSA-N
MW359.92 g/mol
LogP3.51
Rot. Bonds10

About 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide

2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide (PubChem CID 169368099) has the molecular formula C16H26ClN3O2S and a molecular weight of 359.92 g/mol. Its IUPAC name is 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide
PubChem CID169368099
Molecular FormulaC16H26ClN3O2S
Molecular Weight359.92 g/mol
Exact Mass359.14
IUPAC Name2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C16H26ClN3O2S/c1-3-5-11-20(12-6-4-2)23(21,22)15-9-7-14(8-10-15)19-16(18)13-17/h7-10H,3-6,11-13H2,1-2H3,(H2,18,19)
InChIKeyUNZZELUXRPHQCY-UHFFFAOYSA-N
XLogP3.51
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
CID 2061233
4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzene-1-sulfonamide
CID 729446
4-amino-N,N-bis(2-chloroprop-2-enyl)benzenesulfonamide
CID 71579058
4-amino-N-(1-methylpyrrolidin-2-ylidene)benzene-1-sulfonamide
CID 6510231
N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide
CID 45261186
(NZ)-4-amino-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
CID 44360361
Benzenesulfonamide,4-amino-n,n-bis(2-chloroethyl)-
CID 213207
N,N-diallyl-4-aminobenzenesulfonamide
CID 2151848
4-amino-N,N-dipropylbenzenesulfonamide
CID 2181109
Bis(2-chloroethyl)sulfanilamide hydrochloride
CID 213206
Benzenesulfonamide, 4-amino-N-(1-ethyl-2-pyrrolidinylidene)-
CID 6510233

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide (CID 169368099) is 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide is CCCCN(CCCC)S(=O)(=O)c1ccc(/N=C(/N)CCl)cc1.
What is the InChIKey of 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide?
The InChIKey is UNZZELUXRPHQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2S/c1-3-5-11-20(12-6-4-2)23(21,22)15-9-7-14(8-10-15)19-16(18)13-17/h7-10H,3-6,11-13H2,1-2H3,(H2,18,19).
What are the key properties of 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide?
2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide has a molecular weight of 359.92 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide is sourced from PubChem (CID 169368099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).