N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide

C11H10ClFN2O2S2 — CID 103099479

IUPACN-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(N)ccc2F)sc1Cl
InChIInChI=1S/C11H10ClFN2O2S2/c1-6-4-10(18-11(6)12)19(16,17)15-9-5-7(14)2-3-8(9)13/h2-5,15H,14H2,1H3
InChIKeyGQNNJKSPRWBGEX-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.23
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide

N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide (PubChem CID 103099479) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
PubChem CID103099479
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC NameN-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(N)ccc2F)sc1Cl
InChIInChI=1S/C11H10ClFN2O2S2/c1-6-4-10(18-11(6)12)19(16,17)15-9-5-7(14)2-3-8(9)13/h2-5,15H,14H2,1H3
InChIKeyGQNNJKSPRWBGEX-UHFFFAOYSA-N
XLogP3.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 103099646
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 107334288
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide (CID 103099479) is N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(N)ccc2F)sc1Cl.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The InChIKey is GQNNJKSPRWBGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c1-6-4-10(18-11(6)12)19(16,17)15-9-5-7(14)2-3-8(9)13/h2-5,15H,14H2,1H3.
What are the key properties of N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103099479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).