N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide

C15H13NO2S3 — CID 8815899

IUPACN-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1cccs1
InChIInChI=1S/C15H13NO2S3/c17-21(18,14-9-5-11-20-14)16-15(13-8-4-10-19-13)12-6-2-1-3-7-12/h1-11,15-16H/t15-/m0/s1
InChIKeyHOIAKRFUYAZUGV-HNNXBMFYSA-N
MW335.48 g/mol
LogP3.88
Rot. Bonds5

About N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide

N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 8815899) has the molecular formula C15H13NO2S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID8815899
Molecular FormulaC15H13NO2S3
Molecular Weight335.48 g/mol
Exact Mass335.01
IUPAC NameN-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1cccs1
InChIInChI=1S/C15H13NO2S3/c17-21(18,14-9-5-11-20-14)16-15(13-8-4-10-19-13)12-6-2-1-3-7-12/h1-11,15-16H/t15-/m0/s1
InChIKeyHOIAKRFUYAZUGV-HNNXBMFYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
CID 24678420
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
N-[cyano(phenyl)methyl]thiophene-2-sulfonamide
CID 3833145
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
ethyl 4-[[(S)-phenyl(thiophen-2-yl)methyl]sulfamoyl]benzoate
CID 8816031
(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168

Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide (CID 8815899) is N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1cccs1.
What is the InChIKey of N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is HOIAKRFUYAZUGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO2S3/c17-21(18,14-9-5-11-20-14)16-15(13-8-4-10-19-13)12-6-2-1-3-7-12/h1-11,15-16H/t15-/m0/s1.
What are the key properties of N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide?
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 335.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8815899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).