1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide

C14H18N4O3S — CID 2813425

IUPAC1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C14H18N4O3S/c1-17-10-14(15-11-17)22(19,20)16-12-4-2-3-5-13(12)18-6-8-21-9-7-18/h2-5,10-11,16H,6-9H2,1H3
InChIKeyDTHKSDDOGBTWCW-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.06
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide

1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide (PubChem CID 2813425) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide
PubChem CID2813425
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C14H18N4O3S/c1-17-10-14(15-11-17)22(19,20)16-12-4-2-3-5-13(12)18-6-8-21-9-7-18/h2-5,10-11,16H,6-9H2,1H3
InChIKeyDTHKSDDOGBTWCW-UHFFFAOYSA-N
XLogP1.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpiperazine
CID 20958596
1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 44588991
1-(4-fluorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 2812668
1-(4-fluorophenyl)-4-(1H-imidazol-4-ylsulfonyl)piperazine
CID 16195463
N-phenyl-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide
CID 16027166
N-(4-Acetamidophenyl)-2-[4-(morpholine-4-sulfonyl)-1H-imidazol-1-YL]acetamide
CID 24790982
1-methyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]-1H-imidazole-4-sulfonamide
CID 2810760
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulonamide
CID 2814215
1-(4-Chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958586
1-(3-chlorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958599
N-(3-Cyanophenyl)-2-[4-(morpholine-4-sulfonyl)-1H-imidazol-1-YL]acetamide
CID 24790976

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide (CID 2813425) is 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide?
The InChIKey is DTHKSDDOGBTWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-17-10-14(15-11-17)22(19,20)16-12-4-2-3-5-13(12)18-6-8-21-9-7-18/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide?
1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 2813425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).