(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium

C17H17ClN3O4S+ — CID 11372807

IUPAC(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium
SMILESCO/C(O)=C(\[N+]#N)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O4S/c1-11-3-9-14(10-4-11)26(23,24)21-15(16(20-19)17(22)25-2)12-5-7-13(18)8-6-12/h3-10,15,21H,1-2H3/p+1/b17-16-
InChIKeyOPUQEVCPFSBWPE-MSUUIHNZSA-O
MW394.86 g/mol
LogP3.89
Rot. Bonds6

About (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium

(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium (PubChem CID 11372807) has the molecular formula C17H17ClN3O4S+ and a molecular weight of 394.86 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium
PubChem CID11372807
Molecular FormulaC17H17ClN3O4S+
Molecular Weight394.86 g/mol
Exact Mass394.06
IUPAC Name(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium
SMILESCO/C(O)=C(\[N+]#N)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O4S/c1-11-3-9-14(10-4-11)26(23,24)21-15(16(20-19)17(22)25-2)12-5-7-13(18)8-6-12/h3-10,15,21H,1-2H3/p+1/b17-16-
InChIKeyOPUQEVCPFSBWPE-MSUUIHNZSA-O
XLogP3.89
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)-2-methoxyprop-2-enyl]-4-methylbenzenesulfonamide
CID 11302594
methyl 3-(4-chlorophenyl)-2-diazo-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 72821314
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
methyl (E)-2-[(4-chlorophenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 24812919
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
(E)-1-(benzenesulfonamido)-3-hydroxy-4-methyl-1-phenylpent-2-ene-2-diazonium
CID 11844814
N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
CID 46844306
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 11245057
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium?
The IUPAC name of (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium (CID 11372807) is (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium is CO/C(O)=C(\[N+]#N)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium?
The InChIKey is OPUQEVCPFSBWPE-MSUUIHNZSA-O. The full InChI is InChI=1S/C17H16ClN3O4S/c1-11-3-9-14(10-4-11)26(23,24)21-15(16(20-19)17(22)25-2)12-5-7-13(18)8-6-12/h3-10,15,21H,1-2H3/p+1/b17-16-.
What are the key properties of (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium?
(Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium has a molecular weight of 394.86 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-1-hydroxy-1-methoxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium is sourced from PubChem (CID 11372807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).