N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide

C13H14Cl2N2O2S2 — CID 43458765

IUPACN-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide
SMILESCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2O2S2/c1-2-17(8-9-3-5-10(16)6-4-9)21(18,19)11-7-12(14)20-13(11)15/h3-7H,2,8,16H2,1H3
InChIKeyXTRFQKIXXBUUGU-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.85
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide

N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide (PubChem CID 43458765) has the molecular formula C13H14Cl2N2O2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide
PubChem CID43458765
Molecular FormulaC13H14Cl2N2O2S2
Molecular Weight365.31 g/mol
Exact Mass363.99
IUPAC NameN-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide
SMILESCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2O2S2/c1-2-17(8-9-3-5-10(16)6-4-9)21(18,19)11-7-12(14)20-13(11)15/h3-7H,2,8,16H2,1H3
InChIKeyXTRFQKIXXBUUGU-UHFFFAOYSA-N
XLogP3.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 63233523
N-[(4-aminophenyl)methyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413800
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 43458785
N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077
2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
CID 55365500
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-[(4-aminophenyl)methyl]-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103520822
2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 104556518
N-(2-aminophenyl)-2,5-dichloro-N-propylthiophene-3-sulfonamide
CID 63230277
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide (CID 43458765) is N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide is CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
The InChIKey is XTRFQKIXXBUUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S2/c1-2-17(8-9-3-5-10(16)6-4-9)21(18,19)11-7-12(14)20-13(11)15/h3-7H,2,8,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide?
N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide has a molecular weight of 365.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide is sourced from PubChem (CID 43458765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).