N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide

C12H13ClN2O2S2 — CID 61454311

IUPACN-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-2-9-4-6-12(18-9)19(16,17)15-11-7-8(13)3-5-10(11)14/h3-7,15H,2,14H2,1H3
InChIKeyIWPIBDZAPOGRPG-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.35
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide

N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 61454311) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID61454311
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC NameN-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-2-9-4-6-12(18-9)19(16,17)15-11-7-8(13)3-5-10(11)14/h3-7,15H,2,14H2,1H3
InChIKeyIWPIBDZAPOGRPG-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.35
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-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 102976090
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 64894286

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide (CID 61454311) is N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N)s1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is IWPIBDZAPOGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-2-9-4-6-12(18-9)19(16,17)15-11-7-8(13)3-5-10(11)14/h3-7,15H,2,14H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide?
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61454311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).