N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide

C12H10N2O5S2 — CID 86997903

IUPACN-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C12H10N2O5S2/c15-12(11-2-1-7-20-11)13-21(18,19)8-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChIKeyUAYZUBALMCGSOA-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.92
Rot. Bonds5

About N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide

N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide (PubChem CID 86997903) has the molecular formula C12H10N2O5S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide
PubChem CID86997903
Molecular FormulaC12H10N2O5S2
Molecular Weight326.36 g/mol
Exact Mass326.00
IUPAC NameN-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C12H10N2O5S2/c15-12(11-2-1-7-20-11)13-21(18,19)8-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChIKeyUAYZUBALMCGSOA-UHFFFAOYSA-N
XLogP1.92
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-fluoro-5-nitrophenyl)sulfonylthiophene-2-carboxamide
CID 87022888
3,4-difluoro-N-[(4-nitrophenyl)methylsulfonyl]benzamide
CID 55757836
methyl 3-[(4-nitrophenyl)methylsulfonylcarbamoyl]benzoate
CID 55823846
N-[(4-nitrophenyl)methylsulfonyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 75469972
2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide
CID 78895563
N-[3-(4-nitroanilino)propyl]thiophene-2-carboxamide
CID 3110729
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
CID 107258388
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310
2-(4-nitrophenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64640924

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide (CID 86997903) is N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide is O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide?
The InChIKey is UAYZUBALMCGSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S2/c15-12(11-2-1-7-20-11)13-21(18,19)8-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15).
What are the key properties of N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide?
N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide is sourced from PubChem (CID 86997903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).