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

N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
[4-[(1-amino-2-chloroethylidene)amino]phenyl]sulfonylurea
CID 169364990
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
2-chloro-N'-[4-(3-ethoxypropylsulfamoyl)phenyl]ethanimidamide
CID 169366688
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
2-[2-chloro-5-(dibutylsulfamoyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604578
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
pentyl 4-[(1-amino-2-chloroethylidene)amino]benzoate
CID 169368034

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).