N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide

C14H12N4O4S — CID 175462571

IUPACN-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide
SMILESCOc1ccc2c(c1)nnn2-c1ccc(S(=O)(=O)NC=O)cc1
InChIInChI=1S/C14H12N4O4S/c1-22-11-4-7-14-13(8-11)16-17-18(14)10-2-5-12(6-3-10)23(20,21)15-9-19/h2-9H,1H3,(H,15,19)
InChIKeyRDTUUPRIRUSADM-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.86
Rot. Bonds5

About N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide

N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide (PubChem CID 175462571) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide.

Molecular Properties

Compound NameN-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide
PubChem CID175462571
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC NameN-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide
SMILESCOc1ccc2c(c1)nnn2-c1ccc(S(=O)(=O)NC=O)cc1
InChIInChI=1S/C14H12N4O4S/c1-22-11-4-7-14-13(8-11)16-17-18(14)10-2-5-12(6-3-10)23(20,21)15-9-19/h2-9H,1H3,(H,15,19)
InChIKeyRDTUUPRIRUSADM-UHFFFAOYSA-N
XLogP0.86
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(5-methoxybenzotriazol-1-yl)phenyl]ethanamine
CID 164599725
N-[[3-fluoro-4-(5-methoxybenzotriazol-1-yl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 164599787
[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate
CID 175462596
[4-(6-methoxybenzotriazol-1-yl)phenyl]methylsulfonylcarbamic acid
CID 174155352
2-(5-methoxybenzotriazol-1-yl)acetaldehyde
CID 83829654
carbamoyl 6-(5-methoxybenzotriazol-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonate
CID 175462579
3-fluoro-4-(5-methoxybenzotriazol-1-yl)benzoic acid
CID 169099382
1-(3-methoxyphenyl)benzotriazole-5-carboxylic acid
CID 29077186
1-[2,5-difluoro-4-[(sulfamoylamino)methyl]phenyl]-5-methoxybenzotriazole
CID 164599747
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
CID 102097625
1-[4-(benzenesulfonyl)phenyl]benzotriazole
CID 23907838
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
CID 20865699

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide?
The IUPAC name of N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide (CID 175462571) is N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide.
What is the SMILES notation for N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide?
The canonical SMILES for N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide is COc1ccc2c(c1)nnn2-c1ccc(S(=O)(=O)NC=O)cc1.
What is the InChIKey of N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide?
The InChIKey is RDTUUPRIRUSADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-22-11-4-7-14-13(8-11)16-17-18(14)10-2-5-12(6-3-10)23(20,21)15-9-19/h2-9H,1H3,(H,15,19).
What are the key properties of N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide?
N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide has a molecular weight of 332.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide is sourced from PubChem (CID 175462571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).