[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid

C16H24N2O5S — CID 67296705

IUPAC[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NCCC(O)c1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C16H24N2O5S/c19-15(9-10-17-16(20)21)12-5-4-6-13(11-12)18-24(22,23)14-7-2-1-3-8-14/h4-6,11,14-15,17-19H,1-3,7-10H2,(H,20,21)
InChIKeyYFKHMRHHLXCLNT-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.45
Rot. Bonds7

About [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid

[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid (PubChem CID 67296705) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
PubChem CID67296705
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NCCC(O)c1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C16H24N2O5S/c19-15(9-10-17-16(20)21)12-5-4-6-13(11-12)18-24(22,23)14-7-2-1-3-8-14/h4-6,11,14-15,17-19H,1-3,7-10H2,(H,20,21)
InChIKeyYFKHMRHHLXCLNT-UHFFFAOYSA-N
XLogP2.45
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[3-hydroxy-3-[3-(2-propylpentanoylamino)phenyl]propyl]carbamic acid
CID 67296701
[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
CID 67296637
[3-[3-(cyclopentylmethylsulfinyl)phenyl]-3-hydroxypropyl]carbamic acid
CID 67130320
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
CID 59316910
[3-[3-[(1,1-dioxothian-4-yl)methylsulfonyl]phenyl]-3-hydroxypropyl]carbamic acid
CID 90404964
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
[3-[3-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]-3-hydroxypropyl]carbamic acid
CID 67296417
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
[3-hydroxy-3-[3-(thian-4-ylmethylsulfanyl)phenyl]propyl]carbamic acid
CID 90405693

Frequently Asked Questions

What is the IUPAC name of [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid?
The IUPAC name of [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid (CID 67296705) is [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid?
The canonical SMILES for [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid is O=C(O)NCCC(O)c1cccc(NS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid?
The InChIKey is YFKHMRHHLXCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c19-15(9-10-17-16(20)21)12-5-4-6-13(11-12)18-24(22,23)14-7-2-1-3-8-14/h4-6,11,14-15,17-19H,1-3,7-10H2,(H,20,21).
What are the key properties of [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid?
[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid has a molecular weight of 356.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 67296705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).