4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride

C15H10ClFN2O5S — CID 98516512

IUPAC4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C15H10ClFN2O5S/c16-14-9-12(19(21)22)5-1-10(14)2-8-15(20)18-11-3-6-13(7-4-11)25(17,23)24/h1-9H,(H,18,20)/b8-2-
InChIKeyZMWGQEZPOYECCZ-WAPJZHGLSA-N
MW384.77 g/mol
LogP3.56
Rot. Bonds5

About 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride

4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride (PubChem CID 98516512) has the molecular formula C15H10ClFN2O5S and a molecular weight of 384.77 g/mol. Its IUPAC name is 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
PubChem CID98516512
Molecular FormulaC15H10ClFN2O5S
Molecular Weight384.77 g/mol
Exact Mass384.00
IUPAC Name4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C15H10ClFN2O5S/c16-14-9-12(19(21)22)5-1-10(14)2-8-15(20)18-11-3-6-13(7-4-11)25(17,23)24/h1-9H,(H,18,20)/b8-2-
InChIKeyZMWGQEZPOYECCZ-WAPJZHGLSA-N
XLogP3.56
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(1Z,3Z)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 98100861
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide
CID 18809032
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 6050850
3-chloro-4-[(1Z,3Z,5E,7Z)-8-(2-chloro-4-nitrophenyl)octa-1,3,5,7-tetraenyl]benzenesulfonyl fluoride
CID 98545115
(E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid
CID 5381990
3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
3-[(1Z,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 54612163
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride?
The IUPAC name of 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride (CID 98516512) is 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride?
The canonical SMILES for 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride is O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride?
The InChIKey is ZMWGQEZPOYECCZ-WAPJZHGLSA-N. The full InChI is InChI=1S/C15H10ClFN2O5S/c16-14-9-12(19(21)22)5-1-10(14)2-8-15(20)18-11-3-6-13(7-4-11)25(17,23)24/h1-9H,(H,18,20)/b8-2-.
What are the key properties of 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride?
4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride has a molecular weight of 384.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 98516512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).