(5-nitrothiophen-3-yl)methanesulfonamide

C5H6N2O4S2 — CID 62083503

IUPAC(5-nitrothiophen-3-yl)methanesulfonamide
SMILESNS(=O)(=O)Cc1csc([N+](=O)[O-])c1
InChIInChI=1S/C5H6N2O4S2/c6-13(10,11)3-4-1-5(7(8)9)12-2-4/h1-2H,3H2,(H2,6,10,11)
InChIKeyJHXLKCYXYGDGIA-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.44
Rot. Bonds3

About (5-nitrothiophen-3-yl)methanesulfonamide

(5-nitrothiophen-3-yl)methanesulfonamide (PubChem CID 62083503) has the molecular formula C5H6N2O4S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (5-nitrothiophen-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(5-nitrothiophen-3-yl)methanesulfonamide
PubChem CID62083503
Molecular FormulaC5H6N2O4S2
Molecular Weight222.25 g/mol
Exact Mass221.98
IUPAC Name(5-nitrothiophen-3-yl)methanesulfonamide
SMILESNS(=O)(=O)Cc1csc([N+](=O)[O-])c1
InChIInChI=1S/C5H6N2O4S2/c6-13(10,11)3-4-1-5(7(8)9)12-2-4/h1-2H,3H2,(H2,6,10,11)
InChIKeyJHXLKCYXYGDGIA-UHFFFAOYSA-N
XLogP0.44
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5-nitrothiophen-3-yl)methanamine
CID 60749253
N-[(5-nitrothiophen-3-yl)methyl]methanesulfonamide
CID 67290600
(5-bromothiophen-3-yl)methanesulfonamide
CID 165443505
2-(5-nitrothiophen-3-yl)acetic acid
CID 58913445
2-[(5-nitrothiophen-3-yl)methyl]propanedioic acid
CID 170895363
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]propan-2-amine
CID 60811398
1-(5-nitrothiophen-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]methanesulfonamide
CID 136571392
4-methylsulfonyl-2-nitrothiophene
CID 5325931
4-ethylsulfonyl-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 60811018
3-[(5-nitrothiophen-3-yl)methylamino]propanamide
CID 60810576
1-(5-nitrothiophen-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589023
4-[(5-nitrothiophen-3-yl)methylamino]butanamide
CID 60863590

Frequently Asked Questions

What is the IUPAC name of (5-nitrothiophen-3-yl)methanesulfonamide?
The IUPAC name of (5-nitrothiophen-3-yl)methanesulfonamide (CID 62083503) is (5-nitrothiophen-3-yl)methanesulfonamide.
What is the SMILES notation for (5-nitrothiophen-3-yl)methanesulfonamide?
The canonical SMILES for (5-nitrothiophen-3-yl)methanesulfonamide is NS(=O)(=O)Cc1csc([N+](=O)[O-])c1.
What is the InChIKey of (5-nitrothiophen-3-yl)methanesulfonamide?
The InChIKey is JHXLKCYXYGDGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S2/c6-13(10,11)3-4-1-5(7(8)9)12-2-4/h1-2H,3H2,(H2,6,10,11).
What are the key properties of (5-nitrothiophen-3-yl)methanesulfonamide?
(5-nitrothiophen-3-yl)methanesulfonamide has a molecular weight of 222.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrothiophen-3-yl)methanesulfonamide is sourced from PubChem (CID 62083503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).