3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide

C9H9ClN2O3S — CID 169482354

IUPAC3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C9H9ClN2O3S/c10-7-5-6(2-4-9(11)13)1-3-8(7)16(12,14)15/h1-5H,(H2,11,13)(H2,12,14,15)
InChIKeyHLFFKRVEXPRMFV-UHFFFAOYSA-N
MW260.70 g/mol
LogP0.49
Rot. Bonds3

About 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide

3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide (PubChem CID 169482354) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide
PubChem CID169482354
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C9H9ClN2O3S/c10-7-5-6(2-4-9(11)13)1-3-8(7)16(12,14)15/h1-5H,(H2,11,13)(H2,12,14,15)
InChIKeyHLFFKRVEXPRMFV-UHFFFAOYSA-N
XLogP0.49
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
4-(2-acetyl-3-oxobut-1-enyl)-2-chlorobenzenesulfonamide
CID 11957793
2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
CID 169477944
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
3-(3-amino-5-chlorophenyl)prop-2-enamide
CID 169481525
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-[4-[(2-amino-2-oxoethyl)sulfamoyl]-3-chlorophenyl]prop-2-enoic acid
CID 76906865
2-[5-(3-amino-3-oxoprop-1-enyl)-2-chlorophenyl]acetic acid
CID 169482209
(E)-3-(3-methyl-4-sulfamoylphenyl)prop-2-enoic acid
CID 43137804
(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877762
3-chloro-4-sulfamoylbenzoic acid
CID 47003139

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide (CID 169482354) is 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide is NC(=O)C=Cc1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is HLFFKRVEXPRMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-7-5-6(2-4-9(11)13)1-3-8(7)16(12,14)15/h1-5H,(H2,11,13)(H2,12,14,15).
What are the key properties of 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide?
3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 260.70 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 169482354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).