2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide

C15H20N4O4S2 — CID 129471097

IUPAC2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1
InChIInChI=1S/C15H20N4O4S2/c1-10-7-13(24(3,20)21)11(2)14(8-10)25(22,23)18-12-5-4-6-19-15(12)16-9-17-19/h7-9,12,18H,4-6H2,1-3H3/t12-/m0/s1
InChIKeyWSXIETICSQSYON-LBPRGKRZSA-N
MW384.48 g/mol
LogP1.11
Rot. Bonds4

About 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide

2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide (PubChem CID 129471097) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide
PubChem CID129471097
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1
InChIInChI=1S/C15H20N4O4S2/c1-10-7-13(24(3,20)21)11(2)14(8-10)25(22,23)18-12-5-4-6-19-15(12)16-9-17-19/h7-9,12,18H,4-6H2,1-3H3/t12-/m0/s1
InChIKeyWSXIETICSQSYON-LBPRGKRZSA-N
XLogP1.11
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 129001036
5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 75494853
4-cyclohexyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 75494864
1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 138009395
2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964596
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide
CID 128999300
1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 128999323
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 115876715
2,2,3,3-tetramethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclopropane-1-carboxamide
CID 127433298
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698250
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698245
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide (CID 129471097) is 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide is Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1.
What is the InChIKey of 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide?
The InChIKey is WSXIETICSQSYON-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-10-7-13(24(3,20)21)11(2)14(8-10)25(22,23)18-12-5-4-6-19-15(12)16-9-17-19/h7-9,12,18H,4-6H2,1-3H3/t12-/m0/s1.
What are the key properties of 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide?
2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfonyl-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzenesulfonamide is sourced from PubChem (CID 129471097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).