N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide

C18H19N5O4S — CID 1312032

IUPACN-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H19N5O4S/c1-4-23-18(19-21-22-23)14-8-9-16(27-3)17(11-14)28(25,26)20-15-7-5-6-13(10-15)12(2)24/h5-11,20H,4H2,1-3H3
InChIKeyZKTASZQYOZUBEB-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.37
Rot. Bonds7

About N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide

N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 1312032) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID1312032
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H19N5O4S/c1-4-23-18(19-21-22-23)14-8-9-16(27-3)17(11-14)28(25,26)20-15-7-5-6-13(10-15)12(2)24/h5-11,20H,4H2,1-3H3
InChIKeyZKTASZQYOZUBEB-UHFFFAOYSA-N
XLogP2.37
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide (CID 1312032) is N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is ZKTASZQYOZUBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-4-23-18(19-21-22-23)14-8-9-16(27-3)17(11-14)28(25,26)20-15-7-5-6-13(10-15)12(2)24/h5-11,20H,4H2,1-3H3.
What are the key properties of N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 401.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 1312032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).