4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide

C13H19N5O3S — CID 31246771

IUPAC4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESCCCn1nnnc1CN(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19N5O3S/c1-4-9-18-13(14-15-16-18)10-17(2)22(19,20)12-7-5-11(21-3)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyNXOYVXBQZWEQJW-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.91
Rot. Bonds7

About 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide

4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide (PubChem CID 31246771) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide
PubChem CID31246771
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESCCCn1nnnc1CN(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19N5O3S/c1-4-9-18-13(14-15-16-18)10-17(2)22(19,20)12-7-5-11(21-3)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyNXOYVXBQZWEQJW-UHFFFAOYSA-N
XLogP0.91
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
CID 94157370
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50823989
N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110871136
4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 60542205
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 71943990
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate
CID 22856287
2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol
CID 102636709

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide (CID 31246771) is 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide is CCCn1nnnc1CN(C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is NXOYVXBQZWEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-4-9-18-13(14-15-16-18)10-17(2)22(19,20)12-7-5-11(21-3)6-8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 31246771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).