3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide

C16H15N5O3S — CID 35548707

IUPAC3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C16H15N5O3S/c1-11-8-14(6-7-16(11)21-10-17-19-20-21)18-25(23,24)15-5-3-4-13(9-15)12(2)22/h3-10,18H,1-2H3
InChIKeyXIFVYDLFDJTEKT-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.97
Rot. Bonds5

About 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide

3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35548707) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35548707
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C16H15N5O3S/c1-11-8-14(6-7-16(11)21-10-17-19-20-21)18-25(23,24)15-5-3-4-13(9-15)12(2)22/h3-10,18H,1-2H3
InChIKeyXIFVYDLFDJTEKT-UHFFFAOYSA-N
XLogP1.97
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
CID 5045129
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037183
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 35548707) is 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1.
What is the InChIKey of 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is XIFVYDLFDJTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-11-8-14(6-7-16(11)21-10-17-19-20-21)18-25(23,24)15-5-3-4-13(9-15)12(2)22/h3-10,18H,1-2H3.
What are the key properties of 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35548707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).