N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide

C20H21N5O4S — CID 55856658

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N5O4S/c26-19(22-20-21-15-24(23-20)14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)30(27,28)25-10-12-29-13-11-25/h1-9,15H,10-14H2,(H,22,23,26)
InChIKeyKXDUPDMTPPLZLA-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.60
Rot. Bonds6

About N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 55856658) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID55856658
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N5O4S/c26-19(22-20-21-15-24(23-20)14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)30(27,28)25-10-12-29-13-11-25/h1-9,15H,10-14H2,(H,22,23,26)
InChIKeyKXDUPDMTPPLZLA-UHFFFAOYSA-N
XLogP1.60
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55856407
N-(1-benzyl-1,2,4-triazol-3-yl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55856267
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55855757
N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55862882
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 100678383
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 55856658) is N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KXDUPDMTPPLZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c26-19(22-20-21-15-24(23-20)14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)30(27,28)25-10-12-29-13-11-25/h1-9,15H,10-14H2,(H,22,23,26).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 427.49 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55856658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).