1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea

C16H17ClN2O3S — CID 134113081

IUPAC1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-16(2,12-6-4-3-5-7-12)18-15(20)19-23(21,22)14-10-8-13(17)9-11-14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeySMRQMEGUJOBFLT-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea

1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea (PubChem CID 134113081) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea
PubChem CID134113081
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-16(2,12-6-4-3-5-7-12)18-15(20)19-23(21,22)14-10-8-13(17)9-11-14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeySMRQMEGUJOBFLT-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]sulfonyl-3-[[[4-(aminomethyl)phenyl]sulfonylcarbamoylamino]-diphenylmethyl]urea
CID 174713891
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845
2-phenylpropan-2-ylcarbamic acid
CID 23445609
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 2830707
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
CID 113216326
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide
CID 14695771

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea (CID 134113081) is 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea is CC(C)(NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea?
The InChIKey is SMRQMEGUJOBFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-16(2,12-6-4-3-5-7-12)18-15(20)19-23(21,22)14-10-8-13(17)9-11-14/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea?
1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea has a molecular weight of 352.84 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 134113081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).