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

C17H16N2O2S2 — CID 39794094

IUPAC5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)s1
InChIInChI=1S/C17H16N2O2S2/c1-13-10-11-16(22-13)23(20,21)19-17(14-7-3-2-4-8-14)15-9-5-6-12-18-15/h2-12,17,19H,1H3/t17-/m0/s1
InChIKeyBFGJFBFNDKQKCV-KRWDZBQOSA-N
MW344.46 g/mol
LogP3.52
Rot. Bonds5

About 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 39794094) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID39794094
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)s1
InChIInChI=1S/C17H16N2O2S2/c1-13-10-11-16(22-13)23(20,21)19-17(14-7-3-2-4-8-14)15-9-5-6-12-18-15/h2-12,17,19H,1H3/t17-/m0/s1
InChIKeyBFGJFBFNDKQKCV-KRWDZBQOSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 55159229
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide (CID 39794094) is 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)s1.
What is the InChIKey of 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is BFGJFBFNDKQKCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-13-10-11-16(22-13)23(20,21)19-17(14-7-3-2-4-8-14)15-9-5-6-12-18-15/h2-12,17,19H,1H3/t17-/m0/s1.
What are the key properties of 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 39794094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).