3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide

C11H15N5O3S — CID 3212817

IUPAC3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1
InChIInChI=1S/C11H15N5O3S/c1-3-6-13-20(17,18)9-4-5-10(11(7-9)19-2)16-8-12-14-15-16/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyQZAPNOFJKLQKDQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.36
Rot. Bonds6

About 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide

3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 3212817) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID3212817
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1
InChIInChI=1S/C11H15N5O3S/c1-3-6-13-20(17,18)9-4-5-10(11(7-9)19-2)16-8-12-14-15-16/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyQZAPNOFJKLQKDQ-UHFFFAOYSA-N
XLogP0.36
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1428984
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983
3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 3191963
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
CID 16762018
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053
2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide
CID 16762172
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177003
2-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 654021
4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide
CID 171388697
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442051
3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827484

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 3212817) is 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide is CCCNS(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is QZAPNOFJKLQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-3-6-13-20(17,18)9-4-5-10(11(7-9)19-2)16-8-12-14-15-16/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide?
3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 3212817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).