N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide

C19H21FN2O4S — CID 118380733

IUPACN-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@@H]3CC[C@H](O)C3)c2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-12-9-14(6-8-18(12)20)21-19(24)13-3-2-4-17(10-13)27(25,26)22-15-5-7-16(23)11-15/h2-4,6,8-10,15-16,22-23H,5,7,11H2,1H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyAUVAQXDGZVHSCW-CVEARBPZSA-N
MW392.45 g/mol
LogP2.58
Rot. Bonds5

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

N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide (PubChem CID 118380733) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
PubChem CID118380733
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@@H]3CC[C@H](O)C3)c2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-12-9-14(6-8-18(12)20)21-19(24)13-3-2-4-17(10-13)27(25,26)22-15-5-7-16(23)11-15/h2-4,6,8-10,15-16,22-23H,5,7,11H2,1H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyAUVAQXDGZVHSCW-CVEARBPZSA-N
XLogP2.58
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
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-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
CID 159659770
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-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
CID 118396967
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 90075345
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide (CID 118380733) is N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@@H]3CC[C@H](O)C3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide?
The InChIKey is AUVAQXDGZVHSCW-CVEARBPZSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-12-9-14(6-8-18(12)20)21-19(24)13-3-2-4-17(10-13)27(25,26)22-15-5-7-16(23)11-15/h2-4,6,8-10,15-16,22-23H,5,7,11H2,1H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide?
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide has a molecular weight of 392.45 g/mol, XLogP of 2.58, 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-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide is sourced from PubChem (CID 118380733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).