N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide

C11H10Cl2N2O2S2 — CID 43167106

IUPACN-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1c(N)cccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H10Cl2N2O2S2/c1-6-7(14)3-2-4-8(6)15-19(16,17)9-5-10(12)18-11(9)13/h2-5,15H,14H2,1H3
InChIKeyHROYXTMOBYZTES-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.75
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide

N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 43167106) has the molecular formula C11H10Cl2N2O2S2 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID43167106
Molecular FormulaC11H10Cl2N2O2S2
Molecular Weight337.25 g/mol
Exact Mass335.96
IUPAC NameN-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1c(N)cccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H10Cl2N2O2S2/c1-6-7(14)3-2-4-8(6)15-19(16,17)9-5-10(12)18-11(9)13/h2-5,15H,14H2,1H3
InChIKeyHROYXTMOBYZTES-UHFFFAOYSA-N
XLogP3.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.75
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-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43605104
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 43167106) is N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is Cc1c(N)cccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is HROYXTMOBYZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S2/c1-6-7(14)3-2-4-8(6)15-19(16,17)9-5-10(12)18-11(9)13/h2-5,15H,14H2,1H3.
What are the key properties of N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 337.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 43167106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).