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

C14H13N7O3S — CID 118266678

IUPACN-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N7O3S/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/h2-7H,1H3,(H,17,22)(H2,15,23,24)(H,18,19,20,21)
InChIKeyZKIYTWSYOYUPEJ-UHFFFAOYSA-N
MW359.37 g/mol
LogP0.53
Rot. Bonds4

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

N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide (PubChem CID 118266678) has the molecular formula C14H13N7O3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide
PubChem CID118266678
Molecular FormulaC14H13N7O3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N7O3S/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/h2-7H,1H3,(H,17,22)(H2,15,23,24)(H,18,19,20,21)
InChIKeyZKIYTWSYOYUPEJ-UHFFFAOYSA-N
XLogP0.53
TPSA156.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide (CID 118266678) is N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is ZKIYTWSYOYUPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O3S/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/h2-7H,1H3,(H,17,22)(H2,15,23,24)(H,18,19,20,21).
What are the key properties of N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide?
N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 359.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 118266678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).