1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea

C14H18FN5O3S — CID 166193493

IUPAC1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(NS(=O)(=O)c2cnc(C(C)C)[nH]2)ccc1F
InChIInChI=1S/C14H18FN5O3S/c1-8(2)13-17-7-12(19-13)24(22,23)20-9-4-5-10(15)11(6-9)18-14(21)16-3/h4-8,20H,1-3H3,(H,17,19)(H2,16,18,21)
InChIKeyJNWVFZYMGVSINH-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea

1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 166193493) has the molecular formula C14H18FN5O3S and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea
PubChem CID166193493
Molecular FormulaC14H18FN5O3S
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC Name1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(NS(=O)(=O)c2cnc(C(C)C)[nH]2)ccc1F
InChIInChI=1S/C14H18FN5O3S/c1-8(2)13-17-7-12(19-13)24(22,23)20-9-4-5-10(15)11(6-9)18-14(21)16-3/h4-8,20H,1-3H3,(H,17,19)(H2,16,18,21)
InChIKeyJNWVFZYMGVSINH-UHFFFAOYSA-N
XLogP2.22
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide
CID 166221630
4-hydroxy-N-methyl-3-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 167838173
1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea
CID 167971552
2-propan-2-yl-1H-imidazole-5-sulfonic acid
CID 19864190
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62999870
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62997996
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea (CID 166193493) is 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1cc(NS(=O)(=O)c2cnc(C(C)C)[nH]2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is JNWVFZYMGVSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3S/c1-8(2)13-17-7-12(19-13)24(22,23)20-9-4-5-10(15)11(6-9)18-14(21)16-3/h4-8,20H,1-3H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea?
1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 355.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 166193493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).