3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide

C7H7ClN4O2S2 — CID 103407325

IUPAC3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
SMILESCc1csc(-c2n[nH]c(S(N)(=O)=O)n2)c1Cl
InChIInChI=1S/C7H7ClN4O2S2/c1-3-2-15-5(4(3)8)6-10-7(12-11-6)16(9,13)14/h2H,1H3,(H2,9,13,14)(H,10,11,12)
InChIKeyCCZPLXHJHDSZNN-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.14
Rot. Bonds2

About 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide

3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 103407325) has the molecular formula C7H7ClN4O2S2 and a molecular weight of 278.75 g/mol. Its IUPAC name is 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
PubChem CID103407325
Molecular FormulaC7H7ClN4O2S2
Molecular Weight278.75 g/mol
Exact Mass277.97
IUPAC Name3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
SMILESCc1csc(-c2n[nH]c(S(N)(=O)=O)n2)c1Cl
InChIInChI=1S/C7H7ClN4O2S2/c1-3-2-15-5(4(3)8)6-10-7(12-11-6)16(9,13)14/h2H,1H3,(H2,9,13,14)(H,10,11,12)
InChIKeyCCZPLXHJHDSZNN-UHFFFAOYSA-N
XLogP1.14
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide
CID 103407328
3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 137166908
5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 103407313
3-(2,3,4,5,6-pentafluorophenyl)-1H-1,2,4-triazole-5-sulfonamide
CID 113366465
3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-sulfonamide
CID 113366463
3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 137166902
5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 103402151
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
CID 103406366
4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 107050195
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838
4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 103400530
2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 103402863

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide (CID 103407325) is 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide is Cc1csc(-c2n[nH]c(S(N)(=O)=O)n2)c1Cl.
What is the InChIKey of 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is CCZPLXHJHDSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2S2/c1-3-2-15-5(4(3)8)6-10-7(12-11-6)16(9,13)14/h2H,1H3,(H2,9,13,14)(H,10,11,12).
What are the key properties of 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide?
3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 278.75 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 103407325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).