1-(benzenesulfonyl)-1-(2-methylpropyl)urea

C11H16N2O3S — CID 154208378

IUPAC1-(benzenesulfonyl)-1-(2-methylpropyl)urea
SMILESCC(C)CN(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-9(2)8-13(11(12)14)17(15,16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,14)
InChIKeyHXWIBVJGIUIOJW-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.41
Rot. Bonds4

About 1-(benzenesulfonyl)-1-(2-methylpropyl)urea

1-(benzenesulfonyl)-1-(2-methylpropyl)urea (PubChem CID 154208378) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-1-(2-methylpropyl)urea
PubChem CID154208378
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(benzenesulfonyl)-1-(2-methylpropyl)urea
SMILESCC(C)CN(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-9(2)8-13(11(12)14)17(15,16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,14)
InChIKeyHXWIBVJGIUIOJW-UHFFFAOYSA-N
XLogP1.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
CID 118271385
1-(benzenesulfonyl)-1-carbamoylurea
CID 70230141
N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
CID 162407437
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
3-[benzenesulfonyl(2-methylpropyl)amino]propylcarbamic acid
CID 142959686
2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192737
N-[(3S)-7-amino-2-oxoheptan-3-yl]-N-(2-methylpropyl)benzenesulfonamide
CID 59412122
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190065
4-[4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl]benzoic acid
CID 157022700
N-(2-methylpropyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 22042568

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-(benzenesulfonyl)-1-(2-methylpropyl)urea (CID 154208378) is 1-(benzenesulfonyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-1-(2-methylpropyl)urea is CC(C)CN(C(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-1-(2-methylpropyl)urea?
The InChIKey is HXWIBVJGIUIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9(2)8-13(11(12)14)17(15,16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,12,14).
What are the key properties of 1-(benzenesulfonyl)-1-(2-methylpropyl)urea?
1-(benzenesulfonyl)-1-(2-methylpropyl)urea has a molecular weight of 256.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 154208378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).