N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide

C18H22N6O2S — CID 60535540

IUPACN-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H22N6O2S/c1-14(2)23(3)27(25,26)17-11-9-15(10-12-17)19-13-18-20-21-22-24(18)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3
InChIKeyCIJAXFUSAQFNAU-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.30
Rot. Bonds7

About N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide

N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 60535540) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
PubChem CID60535540
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H22N6O2S/c1-14(2)23(3)27(25,26)17-11-9-15(10-12-17)19-13-18-20-21-22-24(18)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3
InChIKeyCIJAXFUSAQFNAU-UHFFFAOYSA-N
XLogP2.30
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
CID 55989469
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate
CID 47077786
4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 60535578
N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide
CID 26963100
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
CID 56504121

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide (CID 60535540) is N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(NCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CIJAXFUSAQFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-14(2)23(3)27(25,26)17-11-9-15(10-12-17)19-13-18-20-21-22-24(18)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3.
What are the key properties of N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60535540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).