N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide

C13H16ClN5O2S — CID 146149585

IUPACN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
SMILESCn1nnc(S(=O)(=O)NC(c2ccc(Cl)cc2)C2CCC2)n1
InChIInChI=1S/C13H16ClN5O2S/c1-19-16-13(15-18-19)22(20,21)17-12(9-3-2-4-9)10-5-7-11(14)8-6-10/h5-9,12,17H,2-4H2,1H3
InChIKeyBBATULKGJRSQCW-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.68
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide

N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide (PubChem CID 146149585) has the molecular formula C13H16ClN5O2S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
PubChem CID146149585
Molecular FormulaC13H16ClN5O2S
Molecular Weight341.82 g/mol
Exact Mass341.07
IUPAC NameN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
SMILESCn1nnc(S(=O)(=O)NC(c2ccc(Cl)cc2)C2CCC2)n1
InChIInChI=1S/C13H16ClN5O2S/c1-19-16-13(15-18-19)22(20,21)17-12(9-3-2-4-9)10-5-7-11(14)8-6-10/h5-9,12,17H,2-4H2,1H3
InChIKeyBBATULKGJRSQCW-UHFFFAOYSA-N
XLogP1.68
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide (CID 146149585) is N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide is Cn1nnc(S(=O)(=O)NC(c2ccc(Cl)cc2)C2CCC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
The InChIKey is BBATULKGJRSQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2S/c1-19-16-13(15-18-19)22(20,21)17-12(9-3-2-4-9)10-5-7-11(14)8-6-10/h5-9,12,17H,2-4H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide has a molecular weight of 341.82 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide is sourced from PubChem (CID 146149585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).