N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide

C14H10N2O4S2 — CID 56973483

IUPACN-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide
SMILESNC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H10N2O4S2/c15-11-12(16-22(19,20)10-6-3-7-21-10)14(18)9-5-2-1-4-8(9)13(11)17/h1-7,16H,15H2
InChIKeyNPCKKXBEDMGYHD-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.28
Rot. Bonds3

About N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide

N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide (PubChem CID 56973483) has the molecular formula C14H10N2O4S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide
PubChem CID56973483
Molecular FormulaC14H10N2O4S2
Molecular Weight334.38 g/mol
Exact Mass334.01
IUPAC NameN-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide
SMILESNC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H10N2O4S2/c15-11-12(16-22(19,20)10-6-3-7-21-10)14(18)9-5-2-1-4-8(9)13(11)17/h1-7,16H,15H2
InChIKeyNPCKKXBEDMGYHD-UHFFFAOYSA-N
XLogP1.28
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
CID 769134
N-fluorothiophene-2-sulfonamide
CID 175398216
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide
CID 4988902
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
thiophen-2-ylsulfonylurea;urea
CID 19065180

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide (CID 56973483) is N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide is NC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide?
The InChIKey is NPCKKXBEDMGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S2/c15-11-12(16-22(19,20)10-6-3-7-21-10)14(18)9-5-2-1-4-8(9)13(11)17/h1-7,16H,15H2.
What are the key properties of N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide?
N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide has a molecular weight of 334.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 56973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).