2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide

C18H21ClN2O4S — CID 18161222

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-12-5-4-6-14(9-12)21-26(23,24)15-7-8-17(19)16(10-15)18(22)20-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)
InChIKeyGAHSOLCQBCJJDE-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.21
Rot. Bonds7

About 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide

2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 18161222) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID18161222
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-12-5-4-6-14(9-12)21-26(23,24)15-7-8-17(19)16(10-15)18(22)20-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)
InChIKeyGAHSOLCQBCJJDE-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 18161222) is 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide is COCC(C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is GAHSOLCQBCJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-5-4-6-14(9-12)21-26(23,24)15-7-8-17(19)16(10-15)18(22)20-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide?
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 18161222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).