1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea

C15H23N3O4S — CID 71313250

IUPAC1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea
SMILESNCCc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C15H23N3O4S/c16-9-8-11-4-6-14(7-5-11)23(21,22)18-15(20)17-12-2-1-3-13(19)10-12/h4-7,12-13,19H,1-3,8-10,16H2,(H2,17,18,20)/t12-,13+/m0/s1
InChIKeyVCKOJLCOICOPJG-QWHCGFSZSA-N
MW341.43 g/mol
LogP0.48
Rot. Bonds5

About 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea

1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea (PubChem CID 71313250) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea
PubChem CID71313250
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea
SMILESNCCc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C15H23N3O4S/c16-9-8-11-4-6-14(7-5-11)23(21,22)18-15(20)17-12-2-1-3-13(19)10-12/h4-7,12-13,19H,1-3,8-10,16H2,(H2,17,18,20)/t12-,13+/m0/s1
InChIKeyVCKOJLCOICOPJG-QWHCGFSZSA-N
XLogP0.48
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-[4-[[(1S,3R)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-(trideuterio(113C)methoxy)benzamide
CID 46781811
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea (CID 71313250) is 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea is NCCc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCC[C@@H](O)C2)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
The InChIKey is VCKOJLCOICOPJG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-9-8-11-4-6-14(7-5-11)23(21,22)18-15(20)17-12-2-1-3-13(19)10-12/h4-7,12-13,19H,1-3,8-10,16H2,(H2,17,18,20)/t12-,13+/m0/s1.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea has a molecular weight of 341.43 g/mol, XLogP of 0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea is sourced from PubChem (CID 71313250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).