N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide

C11H9ClN2O4S2 — CID 18225962

IUPACN-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1
InChIInChI=1S/C11H9ClN2O4S2/c1-7-2-5-11(19-7)20(17,18)13-8-3-4-9(12)10(6-8)14(15)16/h2-6,13H,1H3
InChIKeyVVDJHKXLOYFBCR-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.42
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide

N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 18225962) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
PubChem CID18225962
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC NameN-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1
InChIInChI=1S/C11H9ClN2O4S2/c1-7-2-5-11(19-7)20(17,18)13-8-3-4-9(12)10(6-8)14(15)16/h2-6,13H,1H3
InChIKeyVVDJHKXLOYFBCR-UHFFFAOYSA-N
XLogP3.42
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.42
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

4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61051495
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265
5-tert-butyl-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 7940729
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide (CID 18225962) is N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is VVDJHKXLOYFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-7-2-5-11(19-7)20(17,18)13-8-3-4-9(12)10(6-8)14(15)16/h2-6,13H,1H3.
What are the key properties of N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide?
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 332.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 18225962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).