1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea

C15H22N2O3S — CID 2814168

IUPAC1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-8-10-14(11-9-12)21(19,20)16-15(18)17(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,18)
InChIKeyUOPCKEXFTPBZDO-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.66
Rot. Bonds3

About 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea

1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea (PubChem CID 2814168) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea
PubChem CID2814168
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-8-10-14(11-9-12)21(19,20)16-15(18)17(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,18)
InChIKeyUOPCKEXFTPBZDO-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
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1-({[(Allylamino)carbonyl]amino}sulfonyl)-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea (CID 2814168) is 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea?
The InChIKey is UOPCKEXFTPBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-8-10-14(11-9-12)21(19,20)16-15(18)17(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea?
1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea has a molecular weight of 310.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2814168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).