N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C22H23N5O3S — CID 1466231

IUPACN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12
InChIInChI=1S/C22H23N5O3S/c1-16-7-5-8-17-13-18(22-23-24-25-27(22)21(16)17)14-26(15-19-9-6-12-30-19)31(28,29)20-10-3-2-4-11-20/h2-5,7-8,10-11,13,19H,6,9,12,14-15H2,1H3/t19-/m0/s1
InChIKeyXSTVHVWRFNNEQM-IBGZPJMESA-N
MW437.53 g/mol
LogP2.96
Rot. Bonds6

About N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 1466231) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID1466231
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12
InChIInChI=1S/C22H23N5O3S/c1-16-7-5-8-17-13-18(22-23-24-25-27(22)21(16)17)14-26(15-19-9-6-12-30-19)31(28,29)20-10-3-2-4-11-20/h2-5,7-8,10-11,13,19H,6,9,12,14-15H2,1H3/t19-/m0/s1
InChIKeyXSTVHVWRFNNEQM-IBGZPJMESA-N
XLogP2.96
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 1466242
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3149286
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168709
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1459588
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
CID 3216736
3-benzyl-1-cyclopentyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466192
N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466229
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 1466202
N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 1466214

Frequently Asked Questions

What is the IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 1466231) is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12.
What is the InChIKey of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is XSTVHVWRFNNEQM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-16-7-5-8-17-13-18(22-23-24-25-27(22)21(16)17)14-26(15-19-9-6-12-30-19)31(28,29)20-10-3-2-4-11-20/h2-5,7-8,10-11,13,19H,6,9,12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 437.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1466231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).