3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide

C12H15N5O5S — CID 4190087

IUPAC3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(CO)C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H15N5O5S/c1-22-9-2-4-10(5-3-9)23(20,21)16-11(6-18)12(19)15-17-7-13-14-8-17/h2-5,7-8,11,16,18H,6H2,1H3,(H,15,19)
InChIKeyGRYVBDHVKRGYDZ-UHFFFAOYSA-N
MW341.35 g/mol
LogP-1.30
Rot. Bonds7

About 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide

3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 4190087) has the molecular formula C12H15N5O5S and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID4190087
Molecular FormulaC12H15N5O5S
Molecular Weight341.35 g/mol
Exact Mass341.08
IUPAC Name3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(CO)C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H15N5O5S/c1-22-9-2-4-10(5-3-9)23(20,21)16-11(6-18)12(19)15-17-7-13-14-8-17/h2-5,7-8,11,16,18H,6H2,1H3,(H,15,19)
InChIKeyGRYVBDHVKRGYDZ-UHFFFAOYSA-N
XLogP-1.30
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
CID 6667385
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
(2S)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724362
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 4108774
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 4108947
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide (CID 4190087) is 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide is COc1ccc(S(=O)(=O)NC(CO)C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is GRYVBDHVKRGYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O5S/c1-22-9-2-4-10(5-3-9)23(20,21)16-11(6-18)12(19)15-17-7-13-14-8-17/h2-5,7-8,11,16,18H,6H2,1H3,(H,15,19).
What are the key properties of 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide?
3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 341.35 g/mol, XLogP of -1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 4190087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).