4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide

C13H11N3O2S3 — CID 61300199

IUPAC4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C13H11N3O2S3/c14-10-7-12(20-8-10)21(17,18)16-11-3-1-2-9(6-11)13-15-4-5-19-13/h1-8,16H,14H2
InChIKeyXIKKFQLBSWFDIC-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.25
Rot. Bonds4

About 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide

4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 61300199) has the molecular formula C13H11N3O2S3 and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID61300199
Molecular FormulaC13H11N3O2S3
Molecular Weight337.45 g/mol
Exact Mass337.00
IUPAC Name4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C13H11N3O2S3/c14-10-7-12(20-8-10)21(17,18)16-11-3-1-2-9(6-11)13-15-4-5-19-13/h1-8,16H,14H2
InChIKeyXIKKFQLBSWFDIC-UHFFFAOYSA-N
XLogP3.25
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
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CID 171822730
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
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CID 61299815
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
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4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
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3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
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4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide (CID 61300199) is 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1.
What is the InChIKey of 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XIKKFQLBSWFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S3/c14-10-7-12(20-8-10)21(17,18)16-11-3-1-2-9(6-11)13-15-4-5-19-13/h1-8,16H,14H2.
What are the key properties of 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide?
4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61300199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).