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

C10H13ClN4O2S2 — CID 103407313

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCc1csc(-c2nnc(S(N)(=O)=O)n2C(C)C)c1Cl
InChIInChI=1S/C10H13ClN4O2S2/c1-5(2)15-9(8-7(11)6(3)4-18-8)13-14-10(15)19(12,16)17/h4-5H,1-3H3,(H2,12,16,17)
InChIKeyGQRUETFRGJQVGA-UHFFFAOYSA-N
MW320.83 g/mol
LogP2.20
Rot. Bonds3

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

5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (PubChem CID 103407313) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
PubChem CID103407313
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCc1csc(-c2nnc(S(N)(=O)=O)n2C(C)C)c1Cl
InChIInChI=1S/C10H13ClN4O2S2/c1-5(2)15-9(8-7(11)6(3)4-18-8)13-14-10(15)19(12,16)17/h4-5H,1-3H3,(H2,12,16,17)
InChIKeyGQRUETFRGJQVGA-UHFFFAOYSA-N
XLogP2.20
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide
CID 103407328
5-(3-chloro-4-methylthiophen-2-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103400498
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366285
5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 136813028
3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 103407325
3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103406894
5-(2,3-dimethylphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366057
4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366305
5-[(3-methylphenyl)methyl]-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366306
5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 103407009
5-heptyl-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366295
5-(3-bromo-5-chlorophenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 107944164

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (CID 103407313) is 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is Cc1csc(-c2nnc(S(N)(=O)=O)n2C(C)C)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The InChIKey is GQRUETFRGJQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c1-5(2)15-9(8-7(11)6(3)4-18-8)13-14-10(15)19(12,16)17/h4-5H,1-3H3,(H2,12,16,17).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103407313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).