(2-hydroxyphenyl) N-cyclohexylsulfamate

C12H17NO4S — CID 12649337

IUPAC(2-hydroxyphenyl) N-cyclohexylsulfamate
SMILESO=S(=O)(NC1CCCCC1)Oc1ccccc1O
InChIInChI=1S/C12H17NO4S/c14-11-8-4-5-9-12(11)17-18(15,16)13-10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2
InChIKeyMHXAXXAZQKKVNE-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.94
Rot. Bonds4

About (2-hydroxyphenyl) N-cyclohexylsulfamate

(2-hydroxyphenyl) N-cyclohexylsulfamate (PubChem CID 12649337) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2-hydroxyphenyl) N-cyclohexylsulfamate.

Molecular Properties

Compound Name(2-hydroxyphenyl) N-cyclohexylsulfamate
PubChem CID12649337
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name(2-hydroxyphenyl) N-cyclohexylsulfamate
SMILESO=S(=O)(NC1CCCCC1)Oc1ccccc1O
InChIInChI=1S/C12H17NO4S/c14-11-8-4-5-9-12(11)17-18(15,16)13-10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2
InChIKeyMHXAXXAZQKKVNE-UHFFFAOYSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) N-cyclohexylsulfamate?
The IUPAC name of (2-hydroxyphenyl) N-cyclohexylsulfamate (CID 12649337) is (2-hydroxyphenyl) N-cyclohexylsulfamate.
What is the SMILES notation for (2-hydroxyphenyl) N-cyclohexylsulfamate?
The canonical SMILES for (2-hydroxyphenyl) N-cyclohexylsulfamate is O=S(=O)(NC1CCCCC1)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) N-cyclohexylsulfamate?
The InChIKey is MHXAXXAZQKKVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-11-8-4-5-9-12(11)17-18(15,16)13-10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2.
What are the key properties of (2-hydroxyphenyl) N-cyclohexylsulfamate?
(2-hydroxyphenyl) N-cyclohexylsulfamate has a molecular weight of 271.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) N-cyclohexylsulfamate is sourced from PubChem (CID 12649337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).