N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide

C11H10N2O4S2 — CID 971680

IUPACN-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H10N2O4S2/c1-8-4-5-9(13(14)15)7-10(8)12-19(16,17)11-3-2-6-18-11/h2-7,12H,1H3
InChIKeyOPNVSULASDKPKS-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.77
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide

N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 971680) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
PubChem CID971680
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC NameN-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H10N2O4S2/c1-8-4-5-9(13(14)15)7-10(8)12-19(16,17)11-3-2-6-18-11/h2-7,12H,1H3
InChIKeyOPNVSULASDKPKS-UHFFFAOYSA-N
XLogP2.77
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.77
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

N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
3-bromo-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 61062554
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
N-[2-[[[2-(methylamino)-5-nitrobenzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27023469
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
3,5-dimethyl-N-(2-methyl-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43398044
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide (CID 971680) is N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is OPNVSULASDKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-8-4-5-9(13(14)15)7-10(8)12-19(16,17)11-3-2-6-18-11/h2-7,12H,1H3.
What are the key properties of N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 298.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 971680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).