N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide

C15H14N2O3S2 — CID 102248492

IUPACN-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C15H14N2O3S2/c1-2-15(18)16-11-7-9-12(10-8-11)22(19,20)17-13-5-3-4-6-14(13)21/h2-10,17,21H,1H2,(H,16,18)
InChIKeyCWDLFRWTUNAIAD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide

N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 102248492) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID102248492
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C15H14N2O3S2/c1-2-15(18)16-11-7-9-12(10-8-11)22(19,20)17-13-5-3-4-6-14(13)21/h2-10,17,21H,1H2,(H,16,18)
InChIKeyCWDLFRWTUNAIAD-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167861168
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 43616637
N-[4-(4-propan-2-ylphenyl)sulfonylphenyl]prop-2-enamide
CID 138531780
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167764718
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
N-[3-[(4-pentan-2-ylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 166824731
4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
CID 927105
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 102248492) is N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2S)cc1.
What is the InChIKey of N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is CWDLFRWTUNAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-2-15(18)16-11-7-9-12(10-8-11)22(19,20)17-13-5-3-4-6-14(13)21/h2-10,17,21H,1H2,(H,16,18).
What are the key properties of N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide?
N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 102248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).