(2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide

C19H20Cl2N2O3S — CID 177193275

IUPAC(2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CCCC[C@H]2c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3S/c20-12-8-9-16(18(21)10-12)15-6-1-2-7-17(15)19(24)23-13-4-3-5-14(11-13)27(22,25)26/h3-5,8-11,15,17H,1-2,6-7H2,(H,23,24)(H2,22,25,26)/t15-,17?/m0/s1
InChIKeyBIZNPQXSLAEGFP-MYJWUSKBSA-N
MW427.35 g/mol
LogP4.55
Rot. Bonds4

About (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide

(2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide (PubChem CID 177193275) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide
PubChem CID177193275
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CCCC[C@H]2c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3S/c20-12-8-9-16(18(21)10-12)15-6-1-2-7-17(15)19(24)23-13-4-3-5-14(11-13)27(22,25)26/h3-5,8-11,15,17H,1-2,6-7H2,(H,23,24)(H2,22,25,26)/t15-,17?/m0/s1
InChIKeyBIZNPQXSLAEGFP-MYJWUSKBSA-N
XLogP4.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369
(2,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197024
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
trans-(1R,2R)-N-[3-(carbamoylamino)phenyl]-2-(6-chloro-1H-benzimidazol-2-yl)cyclohexane-1-carboxamide
CID 97260038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide (CID 177193275) is (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide is NS(=O)(=O)c1cccc(NC(=O)C2CCCC[C@H]2c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide?
The InChIKey is BIZNPQXSLAEGFP-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-12-8-9-16(18(21)10-12)15-6-1-2-7-17(15)19(24)23-13-4-3-5-14(11-13)27(22,25)26/h3-5,8-11,15,17H,1-2,6-7H2,(H,23,24)(H2,22,25,26)/t15-,17?/m0/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide?
(2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide has a molecular weight of 427.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenyl)-N-(3-sulfamoylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 177193275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).