N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide

C19H21N3O3S — CID 97355076

IUPACN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H21N3O3S/c1-19(23,13-21-26(24,25)18-12-22(2)14-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14,21,23H,13H2,1-2H3/t19-/m0/s1
InChIKeyJNIOJPAUYVEKOW-IBGZPJMESA-N
MW371.46 g/mol
LogP2.27
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide

N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide (PubChem CID 97355076) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
PubChem CID97355076
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H21N3O3S/c1-19(23,13-21-26(24,25)18-12-22(2)14-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14,21,23H,13H2,1-2H3/t19-/m0/s1
InChIKeyJNIOJPAUYVEKOW-IBGZPJMESA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 90497565
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
(2S)-2-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717794
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
CID 121085769
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide (CID 97355076) is N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is JNIOJPAUYVEKOW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-19(23,13-21-26(24,25)18-12-22(2)14-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14,21,23H,13H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide?
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97355076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).