N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide

C17H23ClN2O3S — CID 51154870

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC=CCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O3S/c1-3-20(4-2)24(22,23)16-12-14(10-11-15(16)18)19-17(21)13-8-6-5-7-9-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,21)
InChIKeyAKXYZQSOHCVEKE-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.67
Rot. Bonds6

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 51154870) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID51154870
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC=CCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O3S/c1-3-20(4-2)24(22,23)16-12-14(10-11-15(16)18)19-17(21)13-8-6-5-7-9-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,21)
InChIKeyAKXYZQSOHCVEKE-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119266222
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclohex-3-ene-1-carboxamide
CID 51212890
1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 134036511
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55577216
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-[4-chloro-3-(diethylsulfamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119679883
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 51154870) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC=CCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is AKXYZQSOHCVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-3-20(4-2)24(22,23)16-12-14(10-11-15(16)18)19-17(21)13-8-6-5-7-9-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,19,21).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 370.90 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).