4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

C16H23NO6S — CID 122071108

IUPAC4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(OC)c(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H23NO6S/c1-22-10-11-3-8-14(23-2)15(9-11)24(20,21)17-13-6-4-12(5-7-13)16(18)19/h3,8-9,12-13,17H,4-7,10H2,1-2H3,(H,18,19)
InChIKeyILHWUUSFZCXHOP-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.76
Rot. Bonds7

About 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 122071108) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID122071108
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(OC)c(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H23NO6S/c1-22-10-11-3-8-14(23-2)15(9-11)24(20,21)17-13-6-4-12(5-7-13)16(18)19/h3,8-9,12-13,17H,4-7,10H2,1-2H3,(H,18,19)
InChIKeyILHWUUSFZCXHOP-UHFFFAOYSA-N
XLogP1.76
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
2-[ethyl-[3-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070476
(2S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]propanoic acid
CID 122069816
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]butanoic acid
CID 122067616
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 122071108) is 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is COCc1ccc(OC)c(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ILHWUUSFZCXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-22-10-11-3-8-14(23-2)15(9-11)24(20,21)17-13-6-4-12(5-7-13)16(18)19/h3,8-9,12-13,17H,4-7,10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 357.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122071108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).