N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide

C11H10ClFN2O2S2 — CID 107334288

IUPACN-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(N)cc(F)c2)sc1Cl
InChIInChI=1S/C11H10ClFN2O2S2/c1-6-2-10(18-11(6)12)19(16,17)15-9-4-7(13)3-8(14)5-9/h2-5,15H,14H2,1H3
InChIKeyRXBBQYCEDHRGPM-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.23
Rot. Bonds3

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

N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide (PubChem CID 107334288) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
PubChem CID107334288
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC NameN-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(N)cc(F)c2)sc1Cl
InChIInChI=1S/C11H10ClFN2O2S2/c1-6-2-10(18-11(6)12)19(16,17)15-9-4-7(13)3-8(14)5-9/h2-5,15H,14H2,1H3
InChIKeyRXBBQYCEDHRGPM-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

N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide
CID 126828839
5-amino-N-(3-fluoro-5-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80727272
N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107334241
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide (CID 107334288) is N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(N)cc(F)c2)sc1Cl.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The InChIKey is RXBBQYCEDHRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c1-6-2-10(18-11(6)12)19(16,17)15-9-4-7(13)3-8(14)5-9/h2-5,15H,14H2,1H3.
What are the key properties of N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
N-(3-amino-5-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-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107334288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).