(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide

C16H11BrN2O3S — CID 5497654

IUPAC(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide
SMILESNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O
InChIInChI=1S/C16H11BrN2O3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H,18H2/b19-15-
InChIKeyVBCMKSMHUBFNOG-CYVLTUHYSA-N
MW391.25 g/mol
LogP2.67
Rot. Bonds2

About (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide

(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide (PubChem CID 5497654) has the molecular formula C16H11BrN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide
PubChem CID5497654
Molecular FormulaC16H11BrN2O3S
Molecular Weight391.25 g/mol
Exact Mass389.97
IUPAC Name(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide
SMILESNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O
InChIInChI=1S/C16H11BrN2O3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H,18H2/b19-15-
InChIKeyVBCMKSMHUBFNOG-CYVLTUHYSA-N
XLogP2.67
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-fluorobenzene-1-sulfonamide
CID 16805904
4-bromo-N-(1,4-dioxonaphthalen-2-yl)benzenesulfonamide
CID 56973478
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 4356814
p-fluorophenyl[(E)-3-[oxido(oxo)(phenyl)-lambda-sulfaniumylamino]-4-oxo-1,4-dihydro-1-naphthylideneamino](oxo)-lambda-sulfaniumolate
CID 6620739
4-methyl-N-[(1Z)-4-oxo-3-[(phenylsulfonyl)amino]naphthalen-1(4H)-ylidene]benzenesulfonamide
CID 12843056
4-bromo-N-(1,4-dioxo-3-phenylnaphthalen-2-yl)benzenesulfonamide
CID 56642993
N-(3-amino-1,4-dioxonaphthalen-2-yl)-4-bromobenzenesulfonamide
CID 56973479
N-(3-bromo-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide
CID 4256487
N,N'-(4-oxo-3-naphthalenyl-1-ylidene)bis(4-methylbenzenesulfonamide)
CID 9586236
4-ethyl-N-[(1E)-4-oxo-3-[(phenylsulfonyl)amino]naphthalen-1(4H)-ylidene]benzenesulfonamide
CID 22525634
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethylbenzenesulfonamide
CID 3495782
(NE)-N-(3-amino-4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 9619473

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide?
The IUPAC name of (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide (CID 5497654) is (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide?
The canonical SMILES for (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide is NC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O.
What is the InChIKey of (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide?
The InChIKey is VBCMKSMHUBFNOG-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H11BrN2O3S/c17-10-5-7-11(8-6-10)23(21,22)19-15-9-14(18)16(20)13-4-2-1-3-12(13)15/h1-9H,18H2/b19-15-.
What are the key properties of (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide?
(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide has a molecular weight of 391.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide is sourced from PubChem (CID 5497654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).