2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide

C42H48Cl2F2N4O10S2 — CID 161277840

IUPAC2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1(O)CCC(F)(F)CC1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C21H23ClF2N2O5S.C21H25ClN2O5S/c22-16-4-2-1-3-14(16)11-19(27)26-15-5-6-17(18(12-15)32(25,29)30)31-13-20(28)7-9-21(23,24)10-8-20;22-17-7-3-2-6-15(17)12-20(25)24-16-8-9-18(19(13-16)30(23,27)28)29-14-21(26)10-4-1-5-11-21/h1-6,12,28H,7-11,13H2,(H,26,27)(H2,25,29,30);2-3,6-9,13,26H,1,4-5,10-12,14H2,(H,24,25)(H2,23,27,28)
InChIKeyVERGVTLIOQXSMR-UHFFFAOYSA-N
MW941.90 g/mol
LogP6.73
Rot. Bonds14

About 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide (PubChem CID 161277840) has the molecular formula C42H48Cl2F2N4O10S2 and a molecular weight of 941.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide
PubChem CID161277840
Molecular FormulaC42H48Cl2F2N4O10S2
Molecular Weight941.90 g/mol
Exact Mass940.22
IUPAC Name2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1(O)CCC(F)(F)CC1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C21H23ClF2N2O5S.C21H25ClN2O5S/c22-16-4-2-1-3-14(16)11-19(27)26-15-5-6-17(18(12-15)32(25,29)30)31-13-20(28)7-9-21(23,24)10-8-20;22-17-7-3-2-6-15(17)12-20(25)24-16-8-9-18(19(13-16)30(23,27)28)29-14-21(26)10-4-1-5-11-21/h1-6,12,28H,7-11,13H2,(H,26,27)(H2,25,29,30);2-3,6-9,13,26H,1,4-5,10-12,14H2,(H,24,25)(H2,23,27,28)
InChIKeyVERGVTLIOQXSMR-UHFFFAOYSA-N
XLogP6.73
TPSA237.44 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.90
LogP ≤ 56.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
CID 134588175
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide (CID 161277840) is 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1(O)CCC(F)(F)CC1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1(O)CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide?
The InChIKey is VERGVTLIOQXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O5S.C21H25ClN2O5S/c22-16-4-2-1-3-14(16)11-19(27)26-15-5-6-17(18(12-15)32(25,29)30)31-13-20(28)7-9-21(23,24)10-8-20;22-17-7-3-2-6-15(17)12-20(25)24-16-8-9-18(19(13-16)30(23,27)28)29-14-21(26)10-4-1-5-11-21/h1-6,12,28H,7-11,13H2,(H,26,27)(H2,25,29,30);2-3,6-9,13,26H,1,4-5,10-12,14H2,(H,24,25)(H2,23,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide has a molecular weight of 941.90 g/mol, XLogP of 6.73, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 161277840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).