N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide

C20H22N6O5S — CID 17039323

IUPACN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-n3nnc(C(=O)N4CCOCC4)c3N)c2)cc1
InChIInChI=1S/C20H22N6O5S/c1-30-16-5-7-17(8-6-16)32(28,29)23-14-3-2-4-15(13-14)26-19(21)18(22-24-26)20(27)25-9-11-31-12-10-25/h2-8,13,23H,9-12,21H2,1H3
InChIKeyHCABJMMPMUJWMO-UHFFFAOYSA-N
MW458.50 g/mol
LogP1.13
Rot. Bonds6

About N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide

N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 17039323) has the molecular formula C20H22N6O5S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID17039323
Molecular FormulaC20H22N6O5S
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC NameN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-n3nnc(C(=O)N4CCOCC4)c3N)c2)cc1
InChIInChI=1S/C20H22N6O5S/c1-30-16-5-7-17(8-6-16)32(28,29)23-14-3-2-4-15(13-14)26-19(21)18(22-24-26)20(27)25-9-11-31-12-10-25/h2-8,13,23H,9-12,21H2,1H3
InChIKeyHCABJMMPMUJWMO-UHFFFAOYSA-N
XLogP1.13
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039305
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 17039324
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide
CID 43819269
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55663261
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide
CID 6491912
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331106
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 93472978
[3-(5-methoxybenzotriazol-1-yl)phenyl]sulfamoyl carbamate
CID 175462596

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide (CID 17039323) is N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-n3nnc(C(=O)N4CCOCC4)c3N)c2)cc1.
What is the InChIKey of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is HCABJMMPMUJWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5S/c1-30-16-5-7-17(8-6-16)32(28,29)23-14-3-2-4-15(13-14)26-19(21)18(22-24-26)20(27)25-9-11-31-12-10-25/h2-8,13,23H,9-12,21H2,1H3.
What are the key properties of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 458.50 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 17039323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).