N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

C18H22N2O4S — CID 78856387

IUPACN-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)CO)c2)c1
InChIInChI=1S/C18H22N2O4S/c1-12-5-4-6-15(9-12)20-25(23,24)16-8-7-13(2)17(10-16)18(22)19-14(3)11-21/h4-10,14,20-21H,11H2,1-3H3,(H,19,22)
InChIKeyFJCGDMIBHFCAGT-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 78856387) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID78856387
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)CO)c2)c1
InChIInChI=1S/C18H22N2O4S/c1-12-5-4-6-15(9-12)20-25(23,24)16-8-7-13(2)17(10-16)18(22)19-14(3)11-21/h4-10,14,20-21H,11H2,1-3H3,(H,19,22)
InChIKeyFJCGDMIBHFCAGT-UHFFFAOYSA-N
XLogP2.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 97185318
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
[2-(butan-2-ylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 42968167
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 43058083
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 78856387) is N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)CO)c2)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FJCGDMIBHFCAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-5-4-6-15(9-12)20-25(23,24)16-8-7-13(2)17(10-16)18(22)19-14(3)11-21/h4-10,14,20-21H,11H2,1-3H3,(H,19,22).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78856387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).