N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

C23H24ClN5O5S — CID 135679343

IUPACN-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C23H24ClN5O5S/c1-3-28(4-2)19-10-5-16(23(30)13-19)15-25-26-21-12-11-20(14-22(21)29(31)32)35(33,34)27-18-8-6-17(24)7-9-18/h5-15,26-27,30H,3-4H2,1-2H3/b25-15+
InChIKeyVVHLVOWKTCMEJF-MFKUBSTISA-N
MW518.00 g/mol
LogP5.05
Rot. Bonds10

About N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 135679343) has the molecular formula C23H24ClN5O5S and a molecular weight of 518.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID135679343
Molecular FormulaC23H24ClN5O5S
Molecular Weight518.00 g/mol
Exact Mass517.12
IUPAC NameN-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C23H24ClN5O5S/c1-3-28(4-2)19-10-5-16(23(30)13-19)15-25-26-21-12-11-20(14-22(21)29(31)32)35(33,34)27-18-8-6-17(24)7-9-18/h5-15,26-27,30H,3-4H2,1-2H3/b25-15+
InChIKeyVVHLVOWKTCMEJF-MFKUBSTISA-N
XLogP5.05
TPSA137.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.00
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_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

4-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3354356
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
N-(4-chlorophenyl)-4-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135932742
4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 5203946
N-(4-chlorophenyl)-4-[(2E)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135614401
N-(4-chlorophenyl)-3-nitro-4-[2-[(2,4,6-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 5201000
N-(3-chlorophenyl)-4-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3311148
N,N-diethyl-4-[2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5200673
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 5113513
N-(3-chlorophenyl)-4-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135947861
N,N-diethyl-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6092153
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide (CID 135679343) is N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is CCN(CC)c1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is VVHLVOWKTCMEJF-MFKUBSTISA-N. The full InChI is InChI=1S/C23H24ClN5O5S/c1-3-28(4-2)19-10-5-16(23(30)13-19)15-25-26-21-12-11-20(14-22(21)29(31)32)35(33,34)27-18-8-6-17(24)7-9-18/h5-15,26-27,30H,3-4H2,1-2H3/b25-15+.
What are the key properties of N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 518.00 g/mol, XLogP of 5.05, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 135679343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).