N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide

C17H27ClN2O2S — CID 177430117

IUPACN'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide
SMILESCCCCCC/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C17H27ClN2O2S/c1-4-7-8-9-10-17(20(5-2)6-3)19-23(21,22)16-13-11-15(18)12-14-16/h11-14H,4-10H2,1-3H3/b19-17+
InChIKeyGWMNGNKQGUAYPE-HTXNQAPBSA-N
MW358.94 g/mol
LogP4.74
Rot. Bonds9

About N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide

N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide (PubChem CID 177430117) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide
PubChem CID177430117
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide
SMILESCCCCCC/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C17H27ClN2O2S/c1-4-7-8-9-10-17(20(5-2)6-3)19-23(21,22)16-13-11-15(18)12-14-16/h11-14H,4-10H2,1-3H3/b19-17+
InChIKeyGWMNGNKQGUAYPE-HTXNQAPBSA-N
XLogP4.74
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide
CID 14580436
N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide
CID 75168284
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
CID 6020592
5-chloro-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)pentanimidamide
CID 46225390
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
N-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)sulfonylethyl]octadecanamide
CID 98129817
S-(4-chlorophenyl) decanethioate
CID 71395565
(4-chlorophenyl)-octadecylsulfamic acid
CID 173322232
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide (CID 177430117) is N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide is CCCCCC/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N(CC)CC.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide?
The InChIKey is GWMNGNKQGUAYPE-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H27ClN2O2S/c1-4-7-8-9-10-17(20(5-2)6-3)19-23(21,22)16-13-11-15(18)12-14-16/h11-14H,4-10H2,1-3H3/b19-17+.
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide?
N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide has a molecular weight of 358.94 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide is sourced from PubChem (CID 177430117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).