N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide

C14H17N7O3S — CID 134823570

IUPACN-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2C2NNNN2)cc1
InChIInChI=1S/C14H17N7O3S/c1-8(22)17-10-4-2-9(3-5-10)11-6-7-16-14(25(15,23)24)12(11)13-18-20-21-19-13/h2-7,13,18-21H,1H3,(H,17,22)(H2,15,23,24)
InChIKeyFCAATSDUYRXOFO-UHFFFAOYSA-N
MW363.40 g/mol
LogP-0.53
Rot. Bonds4

About N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide

N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide (PubChem CID 134823570) has the molecular formula C14H17N7O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide
PubChem CID134823570
Molecular FormulaC14H17N7O3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC NameN-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2C2NNNN2)cc1
InChIInChI=1S/C14H17N7O3S/c1-8(22)17-10-4-2-9(3-5-10)11-6-7-16-14(25(15,23)24)12(11)13-18-20-21-19-13/h2-7,13,18-21H,1H3,(H,17,22)(H2,15,23,24)
InChIKeyFCAATSDUYRXOFO-UHFFFAOYSA-N
XLogP-0.53
TPSA150.27 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide (CID 134823570) is N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2C2NNNN2)cc1.
What is the InChIKey of N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is FCAATSDUYRXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3S/c1-8(22)17-10-4-2-9(3-5-10)11-6-7-16-14(25(15,23)24)12(11)13-18-20-21-19-13/h2-7,13,18-21H,1H3,(H,17,22)(H2,15,23,24).
What are the key properties of N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide?
N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 363.40 g/mol, XLogP of -0.53, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 134823570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).