cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H18N2O5S — CID 2303628

IUPACcis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21)/t11-,12+/m1/s1
InChIKeyGZMIIXJVSILWAP-NEPJUHHUSA-N
MW326.37 g/mol
LogP1.16
Rot. Bonds4

About cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2303628) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2303628
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Namecis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21)/t11-,12+/m1/s1
InChIKeyGZMIIXJVSILWAP-NEPJUHHUSA-N
XLogP1.16
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5165386
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885
trans-(1S,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51570846
cis-(1S,2R)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839068
cis-(1R,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1015007
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
(1S)-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738317
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3158623
cis-(1R,2S)-2-[[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28976930

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2303628) is cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GZMIIXJVSILWAP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2303628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).