1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea

C17H18FN3O3S — CID 134017661

IUPAC1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H18FN3O3S/c1-11-10-12(18)2-9-16(11)25(23,24)21-15-7-5-14(6-8-15)20-17(22)19-13-3-4-13/h2,5-10,13,21H,3-4H2,1H3,(H2,19,20,22)
InChIKeyNYKZHEOKISWFCT-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.22
Rot. Bonds5

About 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea

1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea (PubChem CID 134017661) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea
PubChem CID134017661
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H18FN3O3S/c1-11-10-12(18)2-9-16(11)25(23,24)21-15-7-5-14(6-8-15)20-17(22)19-13-3-4-13/h2,5-10,13,21H,3-4H2,1H3,(H2,19,20,22)
InChIKeyNYKZHEOKISWFCT-UHFFFAOYSA-N
XLogP3.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
CID 134025769
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea
CID 134040540
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 134040533
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 8762838
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 9336358
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea (CID 134017661) is 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea?
The InChIKey is NYKZHEOKISWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-11-10-12(18)2-9-16(11)25(23,24)21-15-7-5-14(6-8-15)20-17(22)19-13-3-4-13/h2,5-10,13,21H,3-4H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea?
1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea has a molecular weight of 363.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 134017661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).