N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide

C20H23FN2O4S — CID 90075233

IUPACN-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3O)c2)ccc1F
InChIInChI=1S/C20H23FN2O4S/c1-13-11-15(9-10-17(13)21)22-20(25)14-5-4-6-16(12-14)28(26,27)23-18-7-2-3-8-19(18)24/h4-6,9-12,18-19,23-24H,2-3,7-8H2,1H3,(H,22,25)/t18-,19-/m0/s1
InChIKeyARALCSCQWKCWOY-OALUTQOASA-N
MW406.48 g/mol
LogP2.97
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide

N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide (PubChem CID 90075233) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
PubChem CID90075233
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3O)c2)ccc1F
InChIInChI=1S/C20H23FN2O4S/c1-13-11-15(9-10-17(13)21)22-20(25)14-5-4-6-16(12-14)28(26,27)23-18-7-2-3-8-19(18)24/h4-6,9-12,18-19,23-24H,2-3,7-8H2,1H3,(H,22,25)/t18-,19-/m0/s1
InChIKeyARALCSCQWKCWOY-OALUTQOASA-N
XLogP2.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen
CID 144581823
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
CID 118396967
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
CID 159659770
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide (CID 90075233) is N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3O)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide?
The InChIKey is ARALCSCQWKCWOY-OALUTQOASA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-13-11-15(9-10-17(13)21)22-20(25)14-5-4-6-16(12-14)28(26,27)23-18-7-2-3-8-19(18)24/h4-6,9-12,18-19,23-24H,2-3,7-8H2,1H3,(H,22,25)/t18-,19-/m0/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide?
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide is sourced from PubChem (CID 90075233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).