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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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).