1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea

C15H23ClN2O3S — CID 142008839

IUPAC1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea
SMILESCCCCc1cc(Cl)ccc1S(=O)(=O)N(C)C(=O)NCCC
InChIInChI=1S/C15H23ClN2O3S/c1-4-6-7-12-11-13(16)8-9-14(12)22(20,21)18(3)15(19)17-10-5-2/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyMXDKAUHCBQTXFP-UHFFFAOYSA-N
MW346.88 g/mol
LogP3.42
Rot. Bonds7

About 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea

1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea (PubChem CID 142008839) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea
PubChem CID142008839
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea
SMILESCCCCc1cc(Cl)ccc1S(=O)(=O)N(C)C(=O)NCCC
InChIInChI=1S/C15H23ClN2O3S/c1-4-6-7-12-11-13(16)8-9-14(12)22(20,21)18(3)15(19)17-10-5-2/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyMXDKAUHCBQTXFP-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
N-[(2-butyl-4-chlorophenyl)methyl]propan-1-amine
CID 106659194
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374971
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide
CID 140618845
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea?
The IUPAC name of 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea (CID 142008839) is 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea.
What is the SMILES notation for 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea?
The canonical SMILES for 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea is CCCCc1cc(Cl)ccc1S(=O)(=O)N(C)C(=O)NCCC.
What is the InChIKey of 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea?
The InChIKey is MXDKAUHCBQTXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-4-6-7-12-11-13(16)8-9-14(12)22(20,21)18(3)15(19)17-10-5-2/h8-9,11H,4-7,10H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea?
1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea has a molecular weight of 346.88 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea is sourced from PubChem (CID 142008839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).