[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate

C14H13N5O5S — CID 175462596

IUPAC[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate
SMILESCOc1ccc2c(c1)nnn2-c1cccc(NS(=O)(=O)OC(N)=O)c1
InChIInChI=1S/C14H13N5O5S/c1-23-11-5-6-13-12(8-11)16-18-19(13)10-4-2-3-9(7-10)17-25(21,22)24-14(15)20/h2-8,17H,1H3,(H2,15,20)
InChIKeyIIZCANRFHDWXFV-UHFFFAOYSA-N
MW363.36 g/mol
LogP1.18
Rot. Bonds5

About [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate

[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate (PubChem CID 175462596) has the molecular formula C14H13N5O5S and a molecular weight of 363.36 g/mol. Its IUPAC name is [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate.

Molecular Properties

Compound Name[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate
PubChem CID175462596
Molecular FormulaC14H13N5O5S
Molecular Weight363.36 g/mol
Exact Mass363.06
IUPAC Name[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate
SMILESCOc1ccc2c(c1)nnn2-c1cccc(NS(=O)(=O)OC(N)=O)c1
InChIInChI=1S/C14H13N5O5S/c1-23-11-5-6-13-12(8-11)16-18-19(13)10-4-2-3-9(7-10)17-25(21,22)24-14(15)20/h2-8,17H,1H3,(H2,15,20)
InChIKeyIIZCANRFHDWXFV-UHFFFAOYSA-N
XLogP1.18
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-methoxyphenyl)benzotriazole-5-carboxylic acid
CID 29077186
carbamoyl 6-(5-methoxybenzotriazol-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonate
CID 175462579
1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
(1S)-1-[4-(5-methoxybenzotriazol-1-yl)phenyl]ethanamine
CID 164599725
N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide
CID 175462571
methyl 1-(3-chlorophenyl)benzotriazole-5-carboxylate
CID 163260865
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
CID 102097625
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039323
1-[2,5-difluoro-4-[(sulfamoylamino)methyl]phenyl]-5-methoxybenzotriazole
CID 164599747
3-fluoro-4-(5-methoxybenzotriazol-1-yl)benzoic acid
CID 169099382
[4-(6-methoxybenzotriazol-1-yl)phenyl]methylsulfonylcarbamic acid
CID 174155352
1-tert-butyl-5-methoxybenzotriazole
CID 134294764

Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate?
The IUPAC name of [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate (CID 175462596) is [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate.
What is the SMILES notation for [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate?
The canonical SMILES for [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate is COc1ccc2c(c1)nnn2-c1cccc(NS(=O)(=O)OC(N)=O)c1.
What is the InChIKey of [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate?
The InChIKey is IIZCANRFHDWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O5S/c1-23-11-5-6-13-12(8-11)16-18-19(13)10-4-2-3-9(7-10)17-25(21,22)24-14(15)20/h2-8,17H,1H3,(H2,15,20).
What are the key properties of [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate?
[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate has a molecular weight of 363.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate is sourced from PubChem (CID 175462596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).