N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide

C22H27N3O5S2 — CID 19258102

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-2-16-23-31(27,28)20-12-8-17(9-13-20)22(26)24-18-10-14-21(15-11-18)32(29,30)25-19-6-4-3-5-7-19/h2,8-15,19,23,25H,1,3-7,16H2,(H,24,26)
InChIKeyJEFITCFNKSNTNN-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.01
Rot. Bonds9

About N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 19258102) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID19258102
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-2-16-23-31(27,28)20-12-8-17(9-13-20)22(26)24-18-10-14-21(15-11-18)32(29,30)25-19-6-4-3-5-7-19/h2,8-15,19,23,25H,1,3-7,16H2,(H,24,26)
InChIKeyJEFITCFNKSNTNN-UHFFFAOYSA-N
XLogP3.01
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 19258102) is N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is JEFITCFNKSNTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-2-16-23-31(27,28)20-12-8-17(9-13-20)22(26)24-18-10-14-21(15-11-18)32(29,30)25-19-6-4-3-5-7-19/h2,8-15,19,23,25H,1,3-7,16H2,(H,24,26).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 477.61 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 19258102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).