5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide

C18H17ClN2O2S2 — CID 171907672

IUPAC5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)s1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2S2/c1-12(15-4-2-3-5-16(15)19)21-25(22,23)18-11-10-17(24-18)13-6-8-14(20)9-7-13/h2-12,21H,20H2,1H3
InChIKeyYNIDGSAJEIUCOF-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.69
Rot. Bonds5

About 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide

5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 171907672) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID171907672
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)s1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2S2/c1-12(15-4-2-3-5-16(15)19)21-25(22,23)18-11-10-17(24-18)13-6-8-14(20)9-7-13/h2-12,21H,20H2,1H3
InChIKeyYNIDGSAJEIUCOF-UHFFFAOYSA-N
XLogP4.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide (CID 171907672) is 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)s1)c1ccccc1Cl.
What is the InChIKey of 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YNIDGSAJEIUCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-12(15-4-2-3-5-16(15)19)21-25(22,23)18-11-10-17(24-18)13-6-8-14(20)9-7-13/h2-12,21H,20H2,1H3.
What are the key properties of 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide?
5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 392.93 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 171907672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).