N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide

C13H15ClN2O2S3 — CID 43550444

IUPACN-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide
SMILESCCCSc1ccc(N)c(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H15ClN2O2S3/c1-2-7-19-9-3-4-10(15)11(8-9)16-21(17,18)13-6-5-12(14)20-13/h3-6,8,16H,2,7,15H2,1H3
InChIKeySXYZJUKLFVIEHZ-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.29
Rot. Bonds6

About N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide

N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 43550444) has the molecular formula C13H15ClN2O2S3 and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide
PubChem CID43550444
Molecular FormulaC13H15ClN2O2S3
Molecular Weight362.93 g/mol
Exact Mass362.00
IUPAC NameN-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide
SMILESCCCSc1ccc(N)c(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H15ClN2O2S3/c1-2-7-19-9-3-4-10(15)11(8-9)16-21(17,18)13-6-5-12(14)20-13/h3-6,8,16H,2,7,15H2,1H3
InChIKeySXYZJUKLFVIEHZ-UHFFFAOYSA-N
XLogP4.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
2-chloro-4-propylsulfanylaniline
CID 79150326
5-chloro-N-(5-ethyl-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 79209856
N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
CID 43549022
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
CID 47062969
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide (CID 43550444) is N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide is CCCSc1ccc(N)c(NS(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is SXYZJUKLFVIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S3/c1-2-7-19-9-3-4-10(15)11(8-9)16-21(17,18)13-6-5-12(14)20-13/h3-6,8,16H,2,7,15H2,1H3.
What are the key properties of N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide?
N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 362.93 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propylsulfanylphenyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 43550444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).