3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C26H27ClN2O5S — CID 25409088

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1Cl
InChIInChI=1S/C26H27ClN2O5S/c1-16-11-12-18(26(30)28-21-10-6-8-17-7-4-5-9-19(17)21)13-25(16)35(31,32)29-22-14-20(27)23(33-2)15-24(22)34-3/h4-5,7,9,11-15,21,29H,6,8,10H2,1-3H3,(H,28,30)/t21-/m0/s1
InChIKeyDXQBGOYRZPJXNC-NRFANRHFSA-N
MW515.03 g/mol
LogP5.27
Rot. Bonds7

About 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 25409088) has the molecular formula C26H27ClN2O5S and a molecular weight of 515.03 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID25409088
Molecular FormulaC26H27ClN2O5S
Molecular Weight515.03 g/mol
Exact Mass514.13
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1Cl
InChIInChI=1S/C26H27ClN2O5S/c1-16-11-12-18(26(30)28-21-10-6-8-17-7-4-5-9-19(17)21)13-25(16)35(31,32)29-22-14-20(27)23(33-2)15-24(22)34-3/h4-5,7,9,11-15,21,29H,6,8,10H2,1-3H3,(H,28,30)/t21-/m0/s1
InChIKeyDXQBGOYRZPJXNC-NRFANRHFSA-N
XLogP5.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.03
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24560488
2-(2-chloro-4,5-dimethoxyanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42893836
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25037645
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
CID 20649308
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 53279937

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 25409088) is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is DXQBGOYRZPJXNC-NRFANRHFSA-N. The full InChI is InChI=1S/C26H27ClN2O5S/c1-16-11-12-18(26(30)28-21-10-6-8-17-7-4-5-9-19(17)21)13-25(16)35(31,32)29-22-14-20(27)23(33-2)15-24(22)34-3/h4-5,7,9,11-15,21,29H,6,8,10H2,1-3H3,(H,28,30)/t21-/m0/s1.
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 515.03 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 25409088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).