N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide

C15H14N8O2S — CID 137499761

IUPACN-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCc1cnc(Cn2nnc(-c3ccc(S(=O)(=O)NCC#N)cc3)n2)cn1
InChIInChI=1S/C15H14N8O2S/c1-11-8-18-13(9-17-11)10-23-21-15(20-22-23)12-2-4-14(5-3-12)26(24,25)19-7-6-16/h2-5,8-9,19H,7,10H2,1H3
InChIKeyOYMPTMAOYQXAGP-UHFFFAOYSA-N
MW370.40 g/mol
LogP0.29
Rot. Bonds6

About N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide

N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499761) has the molecular formula C15H14N8O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID137499761
Molecular FormulaC15H14N8O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCc1cnc(Cn2nnc(-c3ccc(S(=O)(=O)NCC#N)cc3)n2)cn1
InChIInChI=1S/C15H14N8O2S/c1-11-8-18-13(9-17-11)10-23-21-15(20-22-23)12-2-4-14(5-3-12)26(24,25)19-7-6-16/h2-5,8-9,19H,7,10H2,1H3
InChIKeyOYMPTMAOYQXAGP-UHFFFAOYSA-N
XLogP0.29
TPSA139.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
4-cyano-N-(pyridin-2-ylmethyl)-N-[4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
CID 46891424
2,6-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499704
2-[[4-[2-[(5-Methyl-2-pyridyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
CID 137499710
2,3-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499729
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 137499741
N-ethyl-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499753
4-[2-[(3,5-difluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499764
N-(cyanomethyl)-4-[1-(4-pyridylmethyl)triazol-4-yl]benzenesulfonamide
CID 137499815
N-(2-hydroxyethyl)-4-[2-[(6-methyl-3-pyridyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137499831
2-fluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499889
2-[[4-[2-[(5-Fluoro-2-pyridyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
CID 137499906

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 137499761) is N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide is Cc1cnc(Cn2nnc(-c3ccc(S(=O)(=O)NCC#N)cc3)n2)cn1.
What is the InChIKey of N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is OYMPTMAOYQXAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O2S/c1-11-8-18-13(9-17-11)10-23-21-15(20-22-23)12-2-4-14(5-3-12)26(24,25)19-7-6-16/h2-5,8-9,19H,7,10H2,1H3.
What are the key properties of N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide?
N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 370.40 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).