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

C20H22N6O5S — CID 17039305

IUPACN-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCOCC4)c3N)cc2)cc1
InChIInChI=1S/C20H22N6O5S/c1-30-16-6-8-17(9-7-16)32(28,29)23-14-2-4-15(5-3-14)26-19(21)18(22-24-26)20(27)25-10-12-31-13-11-25/h2-9,23H,10-13,21H2,1H3
InChIKeyZZSQPWNRMWGNCP-UHFFFAOYSA-N
MW458.50 g/mol
LogP1.13
Rot. Bonds6

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

N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 17039305) has the molecular formula C20H22N6O5S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID17039305
Molecular FormulaC20H22N6O5S
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC NameN-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCOCC4)c3N)cc2)cc1
InChIInChI=1S/C20H22N6O5S/c1-30-16-6-8-17(9-7-16)32(28,29)23-14-2-4-15(5-3-14)26-19(21)18(22-24-26)20(27)25-10-12-31-13-11-25/h2-9,23H,10-13,21H2,1H3
InChIKeyZZSQPWNRMWGNCP-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-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039323
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331106
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
N-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956951
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
3,4-difluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 3000004
N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025542
N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 46345778
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
N-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080466

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide (CID 17039305) is N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCOCC4)c3N)cc2)cc1.
What is the InChIKey of N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is ZZSQPWNRMWGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5S/c1-30-16-6-8-17(9-7-16)32(28,29)23-14-2-4-15(5-3-14)26-19(21)18(22-24-26)20(27)25-10-12-31-13-11-25/h2-9,23H,10-13,21H2,1H3.
What are the key properties of N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide?
N-[4-[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-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 17039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).