6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H14N8O4S2 — CID 135149696

IUPAC6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C15H14N8O4S2/c16-5-6-28(24,25)12-4-3-11(9-1-2-10(7-17)19-8-9)13(14(12)29(18,26)27)15-20-22-23-21-15/h1-4,8H,5-6,16H2,(H2,18,26,27)(H,20,21,22,23)
InChIKeyRTOGEAVKRIHCMB-UHFFFAOYSA-N
MW434.46 g/mol
LogP-0.82
Rot. Bonds6

About 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149696) has the molecular formula C15H14N8O4S2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149696
Molecular FormulaC15H14N8O4S2
Molecular Weight434.46 g/mol
Exact Mass434.06
IUPAC Name6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C15H14N8O4S2/c16-5-6-28(24,25)12-4-3-11(9-1-2-10(7-17)19-8-9)13(14(12)29(18,26)27)15-20-22-23-21-15/h1-4,8H,5-6,16H2,(H2,18,26,27)(H,20,21,22,23)
InChIKeyRTOGEAVKRIHCMB-UHFFFAOYSA-N
XLogP-0.82
TPSA211.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149696) is 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is RTOGEAVKRIHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O4S2/c16-5-6-28(24,25)12-4-3-11(9-1-2-10(7-17)19-8-9)13(14(12)29(18,26)27)15-20-22-23-21-15/h1-4,8H,5-6,16H2,(H2,18,26,27)(H,20,21,22,23).
What are the key properties of 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 434.46 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylsulfonyl)-3-(6-cyano-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).