N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide

C16H23NO4S — CID 90535803

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C16H23NO4S/c18-16(10-11-21-15-9-5-4-8-14(15)16)12-17-22(19,20)13-6-2-1-3-7-13/h4-5,8-9,13,17-18H,1-3,6-7,10-12H2
InChIKeyLZNHDCJWJUWTMM-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.91
Rot. Bonds4

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide (PubChem CID 90535803) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
PubChem CID90535803
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C16H23NO4S/c18-16(10-11-21-15-9-5-4-8-14(15)16)12-17-22(19,20)13-6-2-1-3-7-13/h4-5,8-9,13,17-18H,1-3,6-7,10-12H2
InChIKeyLZNHDCJWJUWTMM-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
CID 95984892
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899
(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95984877
(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124885267
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806401
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355226
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90535867
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155541343
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide (CID 90535803) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide is O=S(=O)(NCC1(O)CCOc2ccccc21)C1CCCCC1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide?
The InChIKey is LZNHDCJWJUWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c18-16(10-11-21-15-9-5-4-8-14(15)16)12-17-22(19,20)13-6-2-1-3-7-13/h4-5,8-9,13,17-18H,1-3,6-7,10-12H2.
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 90535803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).