[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide

C19H12Cl2N3O5S- — CID 26654448

IUPAC[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H12Cl2N3O5S/c20-13-3-5-14(6-4-13)23-30(28,29)18-11-15(7-10-17(18)21)22-19(25)12-1-8-16(9-2-12)24(26)27/h1-11H,(H,22,25)/q-1
InChIKeySAHZUORONNKYNN-UHFFFAOYSA-N
MW465.29 g/mol
LogP5.55
Rot. Bonds6

About [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide

[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide (PubChem CID 26654448) has the molecular formula C19H12Cl2N3O5S- and a molecular weight of 465.29 g/mol. Its IUPAC name is [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide.

Molecular Properties

Compound Name[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide
PubChem CID26654448
Molecular FormulaC19H12Cl2N3O5S-
Molecular Weight465.29 g/mol
Exact Mass463.99
IUPAC Name[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H12Cl2N3O5S/c20-13-3-5-14(6-4-13)23-30(28,29)18-11-15(7-10-17(18)21)22-19(25)12-1-8-16(9-2-12)24(26)27/h1-11H,(H,22,25)/q-1
InChIKeySAHZUORONNKYNN-UHFFFAOYSA-N
XLogP5.55
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide?
The IUPAC name of [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide (CID 26654448) is [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide.
What is the SMILES notation for [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide?
The canonical SMILES for [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide is O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide?
The InChIKey is SAHZUORONNKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N3O5S/c20-13-3-5-14(6-4-13)23-30(28,29)18-11-15(7-10-17(18)21)22-19(25)12-1-8-16(9-2-12)24(26)27/h1-11H,(H,22,25)/q-1.
What are the key properties of [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide?
[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide has a molecular weight of 465.29 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide is sourced from PubChem (CID 26654448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).