4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide

C14H17N5O4S — CID 2337108

IUPAC4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H17N5O4S/c1-11-2-3-12(14(20)17-18-9-15-16-10-18)8-13(11)24(21,22)19-4-6-23-7-5-19/h2-3,8-10H,4-7H2,1H3,(H,17,20)
InChIKeyWTHNARNXEYEURO-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.01
Rot. Bonds4

About 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide

4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2337108) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2337108
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H17N5O4S/c1-11-2-3-12(14(20)17-18-9-15-16-10-18)8-13(11)24(21,22)19-4-6-23-7-5-19/h2-3,8-10H,4-7H2,1H3,(H,17,20)
InChIKeyWTHNARNXEYEURO-UHFFFAOYSA-N
XLogP-0.01
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
CID 807494
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide (CID 2337108) is 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(C(=O)Nn2cnnc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WTHNARNXEYEURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-11-2-3-12(14(20)17-18-9-15-16-10-18)8-13(11)24(21,22)19-4-6-23-7-5-19/h2-3,8-10H,4-7H2,1H3,(H,17,20).
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide?
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 351.39 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2337108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).