5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

C8H10N4O2S2 — CID 60982828

IUPAC5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ncn[nH]2)s1
InChIInChI=1S/C8H10N4O2S2/c1-6-2-3-8(15-6)16(13,14)11-4-7-9-5-10-12-7/h2-3,5,11H,4H2,1H3,(H,9,10,12)
InChIKeyPBMQMNUQTHHGBP-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.65
Rot. Bonds4

About 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 60982828) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID60982828
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ncn[nH]2)s1
InChIInChI=1S/C8H10N4O2S2/c1-6-2-3-8(15-6)16(13,14)11-4-7-9-5-10-12-7/h2-3,5,11H,4H2,1H3,(H,9,10,12)
InChIKeyPBMQMNUQTHHGBP-UHFFFAOYSA-N
XLogP0.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 121567929
2,5-dimethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 129609384
2,5-dimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 164631301
2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60983715
1-(benzenesulfonyl)-2-methyl-3-[2-(1H-1,2,4-triazol-5-ylmethylsulfanyl)ethyl]guanidine
CID 54116142
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-3-sulfonamide
CID 54883494
5-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 54947111
N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60982300
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 60982433
4-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60983080
1-N-methyl-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-disulfonamide
CID 60983330
5-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 62118516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (CID 60982828) is 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ncn[nH]2)s1.
What is the InChIKey of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is PBMQMNUQTHHGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-6-2-3-8(15-6)16(13,14)11-4-7-9-5-10-12-7/h2-3,5,11H,4H2,1H3,(H,9,10,12).
What are the key properties of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60982828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).