4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide

C16H15N3O4S — CID 67954921

IUPAC4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)c2ccccc12
InChIInChI=1S/C16H15N3O4S/c17-13-5-6-14(12-4-2-1-3-11(12)13)24(22,23)18-9-10-19-15(20)7-8-16(19)21/h1-8,18H,9-10,17H2
InChIKeyYPAUWMKHEMCYJG-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.63
Rot. Bonds5

About 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide

4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 67954921) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID67954921
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)c2ccccc12
InChIInChI=1S/C16H15N3O4S/c17-13-5-6-14(12-4-2-1-3-11(12)13)24(22,23)18-9-10-19-15(20)7-8-16(19)21/h1-8,18H,9-10,17H2
InChIKeyYPAUWMKHEMCYJG-UHFFFAOYSA-N
XLogP0.63
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide
CID 106430208
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
CID 67920315
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
CID 101495653
4-aminonaphthalene-1-sulfonic acid
CID 6790
5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 15680796
ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
CID 174606445
1-amino-4-sulfamoylsulfonylnaphthalene
CID 66717013
2-[(4-aminonaphthalen-1-yl)sulfonylamino]pentanedioic acid
CID 68818458

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide (CID 67954921) is 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide is Nc1ccc(S(=O)(=O)NCCN2C(=O)C=CC2=O)c2ccccc12.
What is the InChIKey of 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is YPAUWMKHEMCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c17-13-5-6-14(12-4-2-1-3-11(12)13)24(22,23)18-9-10-19-15(20)7-8-16(19)21/h1-8,18H,9-10,17H2.
What are the key properties of 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide?
4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 67954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).