N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide

C13H17N5O2S — CID 126790960

IUPACN-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide
SMILESCC(C)n1nnnc1-c1ccccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H17N5O2S/c1-9(2)18-13(14-16-17-18)11-5-3-4-6-12(11)15-21(19,20)10-7-8-10/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyQNZVNQHQSFETTO-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide

N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide (PubChem CID 126790960) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide
PubChem CID126790960
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide
SMILESCC(C)n1nnnc1-c1ccccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H17N5O2S/c1-9(2)18-13(14-16-17-18)11-5-3-4-6-12(11)15-21(19,20)10-7-8-10/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyQNZVNQHQSFETTO-UHFFFAOYSA-N
XLogP1.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,6-bis(1-methylethyl)phenyl]-1-dodecyl-1H-tetrazole-5-methanesulfonamide
CID 19741957
2-(1-Cyclopropyl-1H-tetrazol-5-yl)benzenamine
CID 28818926
3-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 16227503
4-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 17511960
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-fluorobenzenesulfonamide
CID 17532287
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-difluorobenzenesulfonamide
CID 17534303
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclopropanesulfonamide
CID 121543982
(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide
CID 164630774
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-fluorobenzenesulfonamide
CID 17532394
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
CID 17536208
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-fluorobenzenesulfonamide
CID 17536260
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24233906

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide (CID 126790960) is N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide is CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is QNZVNQHQSFETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9(2)18-13(14-16-17-18)11-5-3-4-6-12(11)15-21(19,20)10-7-8-10/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide?
N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 126790960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).