N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide

C14H14N6O4S2 — CID 122694158

IUPACN-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H14N6O4S2/c1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24/h3-8,18H,1-2H3,(H,16,17,19,20)
InChIKeyLUKLJZXORBGZGX-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.70
Rot. Bonds5

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

N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide (PubChem CID 122694158) has the molecular formula C14H14N6O4S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide
PubChem CID122694158
Molecular FormulaC14H14N6O4S2
Molecular Weight394.44 g/mol
Exact Mass394.05
IUPAC NameN-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H14N6O4S2/c1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24/h3-8,18H,1-2H3,(H,16,17,19,20)
InChIKeyLUKLJZXORBGZGX-UHFFFAOYSA-N
XLogP0.70
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide (CID 122694158) is N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is LUKLJZXORBGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4S2/c1-25(21,22)14-12(13-16-19-20-17-13)11(7-8-15-14)9-3-5-10(6-4-9)18-26(2,23)24/h3-8,18H,1-2H3,(H,16,17,19,20).
What are the key properties of N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide?
N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 394.44 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 122694158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).